11027681
  -OEChem-05211316052D

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M  END
> <PUBCHEM_COMPOUND_CID>
11027681

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
852

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB8AAAAAAAAAAAAAAAAAAAAAYMGDBgwYMGDAAAYMGABVAAAGAAAAAAADgCAGAAwAIAAAACAAiBCAAACAAAgAAAIiAAAAIgIICKAERCAIAAggAAIiAcAgMAPgAAAAAAQAAAAAAAAACAAAQAACAAAAA==

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C41H24/c1-2-14-26-25(13-1)37-27-15-3-5-17-29(27)39-33-21-9-7-19-31(33)38(26)32-20-8-10-22-34(32)40(41(37,38)39,30-18-6-4-16-28(30)37)36-24-12-11-23-35(36)39/h1-24H

> <PUBCHEM_IUPAC_INCHIKEY>
UCZDRLAIZMPLNB-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
9.1

> <PUBCHEM_EXACT_MASS>
516.187801

> <PUBCHEM_MOLECULAR_FORMULA>
C41H24

> <PUBCHEM_MOLECULAR_WEIGHT>
516.62926

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C2C(=C1)C34C5=CC=CC=C5C67C38C2(C9=CC=CC=C96)C1=CC=CC=C1C8(C1=CC=CC=C41)C1=CC=CC=C71

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C2C(=C1)C34C5=CC=CC=C5C67C38C2(C9=CC=CC=C96)C1=CC=CC=C1C8(C1=CC=CC=C41)C1=CC=CC=C71

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
516.187801

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
41

> <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  29  8
11  14  8
11  19  8
12  13  8
12  25  8
13  24  8
14  23  8
15  22  8
16  21  8
17  20  8
18  34  8
19  35  8
20  36  8
21  37  8
22  38  8
23  39  8
24  40  8
25  41  8
26  33  8
27  32  8
28  31  8
29  30  8
30  31  8
32  36  8
33  37  8
34  38  8
35  39  8
40  41  8
6  15  8
6  18  8
7  16  8
7  26  8
8  17  8
8  27  8
9  10  8
9  28  8

$$$$