N-(4-methylphenyl)-N-[4-[4-[(3-methylphenyl)-phenyl-amino]phenyl]phenyl]pyren-1-amine

Systemtic Name: N-(4-methylphenyl)-N-[4-[4-[(3-methylphenyl)-phenyl-amino]phenyl]phenyl]pyren-1-amine Openeye Name: N-[4-[4-[N-(m-tolyl)anilino]phenyl]phenyl]-N-(p-tolyl)pyren-1-amine CAS Name: N-(4-methylphenyl)-N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]-1-pyrenamine IUPAC Name: N-(4-methylphenyl)-N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]pyren-1-amine Traditional Name: [4-[4-(4-methyl-N-pyren-1-yl-anilino)phenyl]phenyl]-(m-tolyl)-phenyl-amine Formula: C48H36N2 MolecularWeight: 640.81284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(C2=CC=C(C=C2)C3=CC=C(C=C3)N(C4=CC=CC=C4)C5=CC=CC(=C5)C)C6=C7C=CC8=CC=CC9=C8C7=C(C=C9)C=C6

Isomeric SMILES

CC1=CC=C(C=C1)N(C2=CC=C(C=C2)C3=CC=C(C=C3)N(C4=CC=CC=C4)C5=CC=CC(=C5)C)C6=C7C=CC8=CC=CC9=C8C7=C(C=C9)C=C6

InChI

InChI=1S/C48H36N2/c1-33-14-24-42(25-15-33)50(46-31-23-39-17-16-37-9-7-10-38-22-30-45(46)48(39)47(37)38)43-28-20-36(21-29-43)35-18-26-41(27-19-35)49(40-11-4-3-5-12-40)44-13-6-8-34(2)32-44/h3-32H,1-2H3