N3,N3,N9,N9-tetrakis(4-phenylphenyl)perylene-3,9-diamine

Systemtic Name: N3,N3,N9,N9-tetrakis(4-phenylphenyl)perylene-3,9-diamine Openeye Name: N3,N3,N9,N9-tetrakis(4-phenylphenyl)perylene-3,9-diamine CAS Name: N3,N3,N9,N9-tetrakis(4-phenylphenyl)perylene-3,9-diamine IUPAC Name: 3-N,3-N,9-N,9-N-tetrakis(4-phenylphenyl)perylene-3,9-diamine Traditional Name: bis(4-phenylphenyl)-[9-(4-phenyl-N-(4-phenylphenyl)anilino)perylen-3-yl]amine Formula: C68H46N2 MolecularWeight: 891.10624

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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=CC=C6C7=C8C(=CC=C7)C(=CC=C8C9=C6C5=CC=C9)N(C1=CC=C(C=C1)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=CC=C6C7=C8C(=CC=C7)C(=CC=C8C9=C6C5=CC=C9)N(C1=CC=C(C=C1)C1=CC=CC=C1)C1=CC=C(C=C1)C1=CC=CC=C1

InChI

InChI=1S/C68H46N2/c1-5-15-47(16-6-1)51-27-35-55(36-28-51)69(56-37-29-52(30-38-56)48-17-7-2-8-18-48)65-45-43-61-60-24-14-26-64-66(46-44-62(68(60)64)59-23-13-25-63(65)67(59)61)70(57-39-31-53(32-40-57)49-19-9-3-10-20-49)58-41-33-54(34-42-58)50-21-11-4-12-22-50/h1-46H