9-[4-[2,5-bis(4-phenanthren-9-ylphenyl)phenyl]phenyl]phenanthrene

Systemtic Name: 9-[4-[2,5-bis(4-phenanthren-9-ylphenyl)phenyl]phenyl]phenanthrene Openeye Name: 9-[4-[2,5-bis[4-(9-phenanthryl)phenyl]phenyl]phenyl]phenanthrene CAS Name: 9-[4-[2,5-bis[4-(9-phenanthrenyl)phenyl]phenyl]phenyl]phenanthrene IUPAC Name: 9-[4-[2,5-bis(4-phenanthren-9-ylphenyl)phenyl]phenyl]phenanthrene Traditional Name: 9-[4-[2,5-bis[4-(9-phenanthryl)phenyl]phenyl]phenyl]phenanthrene Formula: C66H42 MolecularWeight: 835.03968

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)C4=CC=C(C=C4)C5=CC(=C(C=C5)C6=CC=C(C=C6)C7=CC8=CC=CC=C8C9=CC=CC=C97)C1=CC=C(C=C1)C1=CC2=CC=CC=C2C2=CC=CC=C21

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)C4=CC=C(C=C4)C5=CC(=C(C=C5)C6=CC=C(C=C6)C7=CC8=CC=CC=C8C9=CC=CC=C97)C1=CC=C(C=C1)C1=CC2=CC=CC=C2C2=CC=CC=C21

InChI

InChI=1S/C66H42/c1-4-16-53-50(13-1)40-64(60-22-10-7-19-57(53)60)46-27-25-43(26-28-46)49-37-38-56(44-29-31-47(32-30-44)65-41-51-14-2-5-17-54(51)58-20-8-11-23-61(58)65)63(39-49)45-33-35-48(36-34-45)66-42-52-15-3-6-18-55(52)59-21-9-12-24-62(59)66/h1-42H