9-[4-(4-benzo[a]pyren-9-ylphenyl)phenyl]benzo[a]pyrene

Systemtic Name: 9-[4-(4-benzo[a]pyren-9-ylphenyl)phenyl]benzo[a]pyrene Openeye Name: 9-[4-(4-benzo[a]pyren-9-ylphenyl)phenyl]benzo[a]pyrene CAS Name: 9-[4-[4-(9-benzo[a]pyrenyl)phenyl]phenyl]benzo[a]pyrene IUPAC Name: 9-[4-(4-benzo[a]pyren-9-ylphenyl)phenyl]benzo[a]pyrene Traditional Name: 9-[4-(4-benzo[a]pyren-9-ylphenyl)phenyl]benzo[a]pyrene Formula: C52H30 MolecularWeight: 654.7946

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4C=C(C=C5)C6=CC=C(C=C6)C7=CC=C(C=C7)C8=CC9=C(C=C8)C=C1C=CC3=C4C1=C9C=CC4=CC=C3)C=C2

Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4C=C(C=C5)C6=CC=C(C=C6)C7=CC=C(C=C7)C8=CC9=C(C=C8)C=C1C=CC3=C4C1=C9C=CC4=CC=C3)C=C2

InChI

InChI=1S/C52H30/c1-3-35-15-21-43-27-41-19-17-39(29-47(41)45-25-23-37(5-1)49(35)51(43)45)33-11-7-31(8-12-33)32-9-13-34(14-10-32)40-18-20-42-28-44-22-16-36-4-2-6-38-24-26-46(48(42)30-40)52(44)50(36)38/h1-30H