146666127
  -OEChem-07152006122D

149163  0     0  0  0  0  0  0999 V2000
    6.6870    1.1886    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.8160   -0.9784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5190    3.7702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9750   -4.5797    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8261    5.4686    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5362   -8.1575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2051    6.7715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7525   -7.1812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4678    6.0960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3979   -8.6649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0754    6.2789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7479   -7.0852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8823    5.1860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1468   -8.0022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8759    5.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0288   -9.0192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5599   -7.9412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6977    7.6418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5297    7.5088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1345   -6.3427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4326    6.2120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5900   -9.6887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0581    6.6245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1942   -6.1440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2905    4.3288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5590   -5.3915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8211    5.3687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1396   -8.3173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6452    4.5968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5958   -5.2915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2529    4.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5752  -10.0266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8434    5.9402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3553   -9.3363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6356    4.9195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3861   -3.6681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2421    4.6568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9800   -4.6795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4150    6.3802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7846   -2.8252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2099   -1.7832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1685    4.7603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9708    2.9320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2212   -1.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4191   -0.8113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5489    3.8775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4160   -3.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9950   -4.9790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1819    9.1150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2031    2.2371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6817    3.6718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5690   -5.5911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3961   -3.8677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9900   -4.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9990    7.1920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4200    6.4800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5929    8.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5530   -0.3113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2851    0.6887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4191    1.1886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3010    2.7579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8306   -2.6119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0417    2.8036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2851   -0.3113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5530    0.6887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1951    1.1955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5740   -5.6910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4010   -3.9676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5879    8.1036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0090    7.3916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4030    2.2302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.0788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0948   -5.9740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8952   -3.9840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7709   10.0266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2703    8.7040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0935    9.5261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8210    0.6887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8210   -0.3113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9550    1.1886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9550   -0.8113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0890    0.6887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0890   -0.3113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4945   -8.7046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7142   -9.5535    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5631   -9.3338    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6940   -7.3359    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9546   -7.8071    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4258   -8.5465    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.2373    7.3364    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0031    8.1813    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1581    7.9471    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.9868    7.9276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1109    7.9660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0725    7.0900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5181   -6.4093    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1821    6.7791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1210  -10.0942    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.1747    7.2334    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8120   -6.0916    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5540    3.7676    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5991   -7.9010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.5145    3.9907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8550   -4.7283    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8947    3.9147    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6966  -10.6346    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.4306    6.1391    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9440   -9.5307    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.0983    4.5068    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1673   -2.8823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9093    5.3235    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7819   -4.0612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2981    3.6052    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9310   -6.0944    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6509   -3.3025    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6159    7.1301    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0580    5.9767    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4465   -2.5405    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2878    2.2346    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8220   -0.6213    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7284    0.8793    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3191   -6.2562    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0390   -3.4643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9500    8.6069    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3921    7.4535    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8625    2.5339    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9381   -4.4620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3831   -5.1408    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0619   -5.6958    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4779   -6.0359    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1567   -6.5909    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7117   -5.9121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5121   -3.9221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8333   -3.3671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2783   -4.0459    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3361   10.2815    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5160   10.5918    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2057    9.7718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0154    9.2692    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7051    8.4491    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5251    8.1388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3484    8.9609    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6587    9.7809    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8387   10.0913    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3579   -0.6213    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9550    1.8086    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9550   -1.4313    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5520    0.9987    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5520   -0.6213    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 65  1  0  0  0  0
  1 78  1  0  0  0  0
  2 44  1  0  0  0  0
  2 58  1  0  0  0  0
  3 46  1  0  0  0  0
  3 61  1  0  0  0  0
  4 26  1  0  0  0  0
  4 36  1  0  0  0  0
  4 38  1  0  0  0  0
  5 27  1  0  0  0  0
  5 37  1  0  0  0  0
  5 39  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 12  2  0  0  0  0
  8 20  1  0  0  0  0
  9 13  2  0  0  0  0
  9 21  1  0  0  0  0
 10 14  1  0  0  0  0
 10 22  2  0  0  0  0
 11 15  1  0  0  0  0
 11 23  2  0  0  0  0
 12 14  1  0  0  0  0
 12 24  1  0  0  0  0
 13 15  1  0  0  0  0
 13 25  1  0  0  0  0
 14 28  2  0  0  0  0
 15 29  2  0  0  0  0
 16 84  1  0  0  0  0
 16 85  1  0  0  0  0
 16 86  1  0  0  0  0
 17 87  1  0  0  0  0
 17 88  1  0  0  0  0
 17 89  1  0  0  0  0
 18 90  1  0  0  0  0
 18 91  1  0  0  0  0
 18 92  1  0  0  0  0
 19 93  1  0  0  0  0
 19 94  1  0  0  0  0
 19 95  1  0  0  0  0
 20 26  2  0  0  0  0
 20 96  1  0  0  0  0
 21 27  2  0  0  0  0
 21 97  1  0  0  0  0
 22 32  1  0  0  0  0
 22 98  1  0  0  0  0
 23 33  1  0  0  0  0
 23 99  1  0  0  0  0
 24 30  2  0  0  0  0
 24100  1  0  0  0  0
 25 31  2  0  0  0  0
 25101  1  0  0  0  0
 26 30  1  0  0  0  0
 27 31  1  0  0  0  0
 28 34  1  0  0  0  0
 28102  1  0  0  0  0
 29 35  1  0  0  0  0
 29103  1  0  0  0  0
 30104  1  0  0  0  0
 31105  1  0  0  0  0
 32 34  2  0  0  0  0
 32106  1  0  0  0  0
 33 35  2  0  0  0  0
 33107  1  0  0  0  0
 34108  1  0  0  0  0
 35109  1  0  0  0  0
 36 40  2  0  0  0  0
 36 47  1  0  0  0  0
 37 42  2  0  0  0  0
 37 51  1  0  0  0  0
 38 52  2  0  0  0  0
 38 53  1  0  0  0  0
 39 55  2  0  0  0  0
 39 56  1  0  0  0  0
 40 44  1  0  0  0  0
 40110  1  0  0  0  0
 41 44  2  0  0  0  0
 41 45  1  0  0  0  0
 41 62  1  0  0  0  0
 42 46  1  0  0  0  0
 42111  1  0  0  0  0
 43 46  2  0  0  0  0
 43 50  1  0  0  0  0
 43 63  1  0  0  0  0
 45 58  1  0  0  0  0
 45 64  2  0  0  0  0
 47 62  2  0  0  0  0
 47112  1  0  0  0  0
 48 54  1  0  0  0  0
 48 72  1  0  0  0  0
 48 73  1  0  0  0  0
 48 74  1  0  0  0  0
 49 57  1  0  0  0  0
 49 75  1  0  0  0  0
 49 76  1  0  0  0  0
 49 77  1  0  0  0  0
 50 61  2  0  0  0  0
 50 66  1  0  0  0  0
 51 63  2  0  0  0  0
 51113  1  0  0  0  0
 52 67  1  0  0  0  0
 52114  1  0  0  0  0
 53 68  2  0  0  0  0
 53115  1  0  0  0  0
 54 67  2  0  0  0  0
 54 68  1  0  0  0  0
 55 69  1  0  0  0  0
 55116  1  0  0  0  0
 56 70  2  0  0  0  0
 56117  1  0  0  0  0
 57 69  2  0  0  0  0
 57 70  1  0  0  0  0
 58 65  2  0  0  0  0
 59 60  1  0  0  0  0
 59 64  1  0  0  0  0
 59 66  2  0  0  0  0
 60 65  1  0  0  0  0
 60 71  2  0  0  0  0
 61 71  1  0  0  0  0
 62118  1  0  0  0  0
 63119  1  0  0  0  0
 64120  1  0  0  0  0
 66121  1  0  0  0  0
 67122  1  0  0  0  0
 68123  1  0  0  0  0
 69124  1  0  0  0  0
 70125  1  0  0  0  0
 71126  1  0  0  0  0
 72127  1  0  0  0  0
 72128  1  0  0  0  0
 72129  1  0  0  0  0
 73130  1  0  0  0  0
 73131  1  0  0  0  0
 73132  1  0  0  0  0
 74133  1  0  0  0  0
 74134  1  0  0  0  0
 74135  1  0  0  0  0
 75136  1  0  0  0  0
 75137  1  0  0  0  0
 75138  1  0  0  0  0
 76139  1  0  0  0  0
 76140  1  0  0  0  0
 76141  1  0  0  0  0
 77142  1  0  0  0  0
 77143  1  0  0  0  0
 77144  1  0  0  0  0
 78 79  2  0  0  0  0
 78 80  1  0  0  0  0
 79 81  1  0  0  0  0
 79145  1  0  0  0  0
 80 82  2  0  0  0  0
 80146  1  0  0  0  0
 81 83  2  0  0  0  0
 81147  1  0  0  0  0
 82 83  1  0  0  0  0
 82148  1  0  0  0  0
 83149  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
146666127

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
2210

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
10

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB/MABAAAAAAAAAAAAAAAAAAaNECAAwYMGDAAAAAGjB/gAAHgQAAAAADgyB2AAyx8MABEiIAqRSQACCCAAlKhAIiBsGbMgMJnrktZuGOajmwBno6ceY////6AADwgAcIADQAAeEADhAAQAACAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N7,N19-bis(4-tert-butylphenyl)-N7,N19-bis(9,9-dimethylfluoren-2-yl)-12-phenylsulfanyl-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17(22),18,20-undecaene-7,19-diamine

> <PUBCHEM_IUPAC_CAS_NAME>
N7,N19-bis(4-tert-butylphenyl)-N7,N19-bis(9,9-dimethyl-2-fluorenyl)-12-(phenylthio)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17(22),18,20-undecaene-7,19-diamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
7-<I>N</I>,19-<I>N</I>-bis(4-<I>tert</I>-butylphenyl)-7-<I>N</I>,19-<I>N</I>-bis(9,9-dimethylfluoren-2-yl)-12-phenylsulfanyl-10,16-dioxahexacyclo[11.11.0.0<SUP>3,11</SUP>.0<SUP>4,9</SUP>.0<SUP>15,23</SUP>.0<SUP>17,22</SUP>]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17(22),18,20-undecaene-7,19-diamine

> <PUBCHEM_IUPAC_NAME>
7-N,19-N-bis(4-tert-butylphenyl)-7-N,19-N-bis(9,9-dimethylfluoren-2-yl)-12-phenylsulfanyl-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17(22),18,20-undecaene-7,19-diamine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N7,N19-bis(4-tert-butylphenyl)-N7,N19-bis(9,9-dimethylfluoren-2-yl)-12-phenylsulfanyl-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17(22),18,20-undecaene-7,19-diamine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[19-(4-tert-butyl-N-(9,9-dimethylfluoren-2-yl)anilino)-12-(phenylthio)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17(22),18,20-undecaen-7-yl]-(4-tert-butylphenyl)-(9,9-dimethylfluoren-2-yl)amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C78H66N2O2S/c1-75(2,3)48-24-28-50(29-25-48)79(52-32-36-59-57-20-14-16-22-66(57)77(7,8)68(59)42-52)54-34-38-61-64-40-47-41-65-62-39-35-55(45-71(62)82-73(65)74(83-56-18-12-11-13-19-56)63(47)46-72(64)81-70(61)44-54)80(51-30-26-49(27-31-51)76(4,5)6)53-33-37-60-58-21-15-17-23-67(58)78(9,10)69(60)43-53/h11-46H,1-10H3

> <PUBCHEM_IUPAC_INCHIKEY>
RTYCNUOSNXAGQK-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
23.2

> <PUBCHEM_EXACT_MASS>
1094.484501

> <PUBCHEM_MOLECULAR_FORMULA>
C78H66N2O2S

> <PUBCHEM_MOLECULAR_WEIGHT>
1095.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC=C(C=C4)C(C)(C)C)C5=CC6=C(C=C5)C7=CC8=CC9=C(C=C8C(=C7O6)SC1=CC=CC=C1)OC1=C9C=CC(=C1)N(C1=CC=C(C=C1)C(C)(C)C)C1=CC2=C(C=C1)C1=CC=CC=C1C2(C)C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC=C(C=C4)C(C)(C)C)C5=CC6=C(C=C5)C7=CC8=CC9=C(C=C8C(=C7O6)SC1=CC=CC=C1)OC1=C9C=CC(=C1)N(C1=CC=C(C=C1)C(C)(C)C)C1=CC2=C(C=C1)C1=CC=CC=C1C2(C)C)C

> <PUBCHEM_CACTVS_TPSA>
58.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
1094.484501

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
83

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  14  8
10  22  8
11  15  8
11  23  8
12  24  8
13  25  8
14  28  8
15  29  8
2  44  8
2  58  8
20  26  8
21  27  8
22  32  8
23  33  8
24  30  8
25  31  8
26  30  8
27  31  8
28  34  8
29  35  8
3  46  8
3  61  8
32  34  8
33  35  8
36  40  8
36  47  8
37  42  8
37  51  8
38  52  8
38  53  8
39  55  8
39  56  8
40  44  8
41  44  8
41  45  8
41  62  8
42  46  8
43  46  8
43  50  8
43  63  8
45  58  8
45  64  8
47  62  8
50  61  8
50  66  8
51  63  8
52  67  8
53  68  8
54  67  8
54  68  8
55  69  8
56  70  8
57  69  8
57  70  8
58  65  8
59  60  8
59  64  8
59  66  8
60  65  8
60  71  8
61  71  8
78  79  8
78  80  8
79  81  8
8  12  8
8  20  8
80  82  8
81  83  8
82  83  8
9  13  8
9  21  8

$$$$
