146655508
  -OEChem-07152006102D

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M  END
> <PUBCHEM_COMPOUND_CID>
146655508

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
1960

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB/sABAAAAAAAAAAAAAAAAAAeLEAAA8ePHjQAAAAFix/gAAHgQAAAAADgzB3gQ8x/MMFAigAzRnRACCiCAxOjAI2Dg/fJgOZuLksZuXOCzkwBH46AeQwMAPiAAAACAGEAAQAAAAQAwgASAACQAQAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
10-[5,11-di(carbazol-9-yl)-6'-phenoxazin-10-yl-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-3'-yl]phenoxazine

> <PUBCHEM_IUPAC_CAS_NAME>
10-[5,11-bis(9-carbazolyl)-6'-(10-phenoxazinyl)-3'-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]yl]phenoxazine

> <PUBCHEM_IUPAC_NAME_MARKUP>
10-[5,11-di(carbazol-9-yl)-6&apos;-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.0<SUP>2,7</SUP>]trideca-1(9),2(7),3,5,10,12-hexaene-8,9&apos;-thioxanthene]-3&apos;-yl]phenoxazine

> <PUBCHEM_IUPAC_NAME>
10-[5,11-di(carbazol-9-yl)-6'-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-3'-yl]phenoxazine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
10-[5,11-di(carbazol-9-yl)-6'-phenoxazin-10-yl-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-3'-yl]phenoxazine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
10-[5,11-di(carbazol-9-yl)-6'-phenoxazin-10-yl-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]-3'-yl]phenoxazine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C71H42N6O2S/c1-5-21-55-47(17-1)48-18-2-6-22-56(48)76(55)45-37-53-69(72-41-45)70-54(38-46(42-73-70)77-57-23-7-3-19-49(57)50-20-4-8-24-58(50)77)71(53)51-35-33-43(74-59-25-9-13-29-63(59)78-64-30-14-10-26-60(64)74)39-67(51)80-68-40-44(34-36-52(68)71)75-61-27-11-15-31-65(61)79-66-32-16-12-28-62(66)75/h1-42H

> <PUBCHEM_IUPAC_INCHIKEY>
WSHHXDMQCYXLAO-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
16.6

> <PUBCHEM_EXACT_MASS>
1042.308996

> <PUBCHEM_MOLECULAR_FORMULA>
C71H42N6O2S

> <PUBCHEM_MOLECULAR_WEIGHT>
1043.2

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C2C(=C1)C3=CC=CC=C3N2C4=CC5=C(C6=C(C57C8=C(C=C(C=C8)N9C1=CC=CC=C1OC1=CC=CC=C19)SC1=C7C=CC(=C1)N1C2=CC=CC=C2OC2=CC=CC=C21)C=C(C=N6)N1C2=CC=CC=C2C2=CC=CC=C21)N=C4

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C2C(=C1)C3=CC=CC=C3N2C4=CC5=C(C6=C(C57C8=C(C=C(C=C8)N9C1=CC=CC=C1OC1=CC=CC=C19)SC1=C7C=CC(=C1)N1C2=CC=CC=C2OC2=CC=CC=C21)C=C(C=N6)N1C2=CC=CC=C2C2=CC=CC=C21)N=C4

> <PUBCHEM_CACTVS_TPSA>
85.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
1042.308996

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
80

> <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>
11  15  8
11  19  8
12  16  8
12  20  8
13  17  8
13  21  8
14  18  8
14  22  8
17  25  8
18  26  8
19  23  8
20  24  8
21  29  8
22  30  8
23  31  8
24  32  8
25  27  8
26  28  8
27  29  8
28  30  8
33  37  8
33  45  8
34  38  8
34  46  8
35  39  8
35  47  8
36  40  8
36  48  8
37  38  8
37  49  8
38  50  8
39  40  8
39  51  8
4  15  8
4  31  8
40  52  8
41  53  8
41  65  8
42  54  8
42  66  8
43  55  8
43  67  8
44  56  8
44  68  8
45  57  8
46  58  8
47  59  8
48  60  8
49  61  8
5  16  8
5  32  8
50  62  8
51  63  8
52  64  8
53  69  8
54  70  8
55  71  8
56  72  8
57  61  8
58  62  8
59  63  8
6  33  8
6  34  8
60  64  8
65  73  8
66  74  8
67  75  8
68  76  8
69  77  8
7  35  8
7  36  8
70  78  8
71  79  8
72  80  8
73  77  8
74  78  8
75  79  8
76  80  8

$$$$
