N7,N7,N12,N12-tetrakis(4-phenylphenyl)benzo[a]anthracene-7,12-diamine

Systemtic Name: N7,N7,N12,N12-tetrakis(4-phenylphenyl)benzo[a]anthracene-7,12-diamine Openeye Name: N7,N7,N12,N12-tetrakis(4-phenylphenyl)benzo[a]anthracene-7,12-diamine CAS Name: N7,N7,N12,N12-tetrakis(4-phenylphenyl)benzo[a]anthracene-7,12-diamine IUPAC Name: 7-N,7-N,12-N,12-N-tetrakis(4-phenylphenyl)benzo[a]anthracene-7,12-diamine Traditional Name: bis(4-phenylphenyl)-[7-(4-phenyl-N-(4-phenylphenyl)anilino)benz[a]anthracen-12-yl]amine Formula: C66H46N2 MolecularWeight: 867.08484

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC=C(C=C3)C4=CC=CC=C4)C5=C6C=CC7=CC=CC=C7C6=C(C8=CC=CC=C85)N(C9=CC=C(C=C9)C1=CC=CC=C1)C1=CC=C(C=C1)C1=CC=CC=C1

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC=C(C=C3)C4=CC=CC=C4)C5=C6C=CC7=CC=CC=C7C6=C(C8=CC=CC=C85)N(C9=CC=C(C=C9)C1=CC=CC=C1)C1=CC=C(C=C1)C1=CC=CC=C1

InChI

InChI=1S/C66H46N2/c1-5-17-47(18-6-1)51-29-38-56(39-30-51)67(57-40-31-52(32-41-57)48-19-7-2-8-20-48)65-61-27-15-16-28-62(61)66(64-60-26-14-13-25-55(60)37-46-63(64)65)68(58-42-33-53(34-43-58)49-21-9-3-10-22-49)59-44-35-54(36-45-59)50-23-11-4-12-24-50/h1-46H