N3,N9-di(anthracen-9-yl)-N3,N9-diphenyl-perylene-3,9-diamine

Systemtic Name: N3,N9-di(anthracen-9-yl)-N3,N9-diphenyl-perylene-3,9-diamine Openeye Name: N3,N9-bis(9-anthryl)-N3,N9-diphenyl-perylene-3,9-diamine CAS Name: N3,N9-bis(9-anthracenyl)-N3,N9-diphenylperylene-3,9-diamine IUPAC Name: 3-N,9-N-di(anthracen-9-yl)-3-N,9-N-diphenylperylene-3,9-diamine Traditional Name: 9-anthryl-[9-[N-(9-anthryl)anilino]perylen-3-yl]-phenyl-amine Formula: C60H38N2 MolecularWeight: 786.95712

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(C2=CC=C3C4=C5C(=CC=C4)C(=CC=C5C6=C3C2=CC=C6)N(C7=CC=CC=C7)C8=C9C=CC=CC9=CC1=CC=CC=C18)C1=C2C=CC=CC2=CC2=CC=CC=C21

Isomeric SMILES

C1=CC=C(C=C1)N(C2=CC=C3C4=C5C(=CC=C4)C(=CC=C5C6=C3C2=CC=C6)N(C7=CC=CC=C7)C8=C9C=CC=CC9=CC1=CC=CC=C18)C1=C2C=CC=CC2=CC2=CC=CC=C21

InChI

InChI=1S/C60H38N2/c1-3-21-43(22-4-1)61(59-45-25-11-7-17-39(45)37-40-18-8-12-26-46(40)59)55-35-33-51-50-30-16-32-54-56(36-34-52(58(50)54)49-29-15-31-53(55)57(49)51)62(44-23-5-2-6-24-44)60-47-27-13-9-19-41(47)38-42-20-10-14-28-48(42)60/h1-38H