N3-(4-methylphenyl)-N3-pyren-1-yl-benzene-1,3-diamine

Systemtic Name: N3-(4-methylphenyl)-N3-pyren-1-yl-benzene-1,3-diamine Openeye Name: N3-(p-tolyl)-N3-pyren-1-yl-benzene-1,3-diamine CAS Name: N3-(4-methylphenyl)-N3-(1-pyrenyl)benzene-1,3-diamine IUPAC Name: 3-N-(4-methylphenyl)-3-N-pyren-1-ylbenzene-1,3-diamine Traditional Name: (3-aminophenyl)-(p-tolyl)-pyren-1-yl-amine Formula: C29H22N2 MolecularWeight: 398.49838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(C2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)C6=CC=CC(=C6)N

Isomeric SMILES

CC1=CC=C(C=C1)N(C2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)C6=CC=CC(=C6)N

InChI

InChI=1S/C29H22N2/c1-19-8-14-24(15-9-19)31(25-7-3-6-23(30)18-25)27-17-13-22-11-10-20-4-2-5-21-12-16-26(27)29(22)28(20)21/h2-18H,30H2,1H3