N1-(4-methylphenyl)-N2-pyren-1-yl-benzene-1,2-diamine

Systemtic Name: N1-(4-methylphenyl)-N2-pyren-1-yl-benzene-1,2-diamine Openeye Name: N1-(p-tolyl)-N2-pyren-1-yl-benzene-1,2-diamine CAS Name: N1-(4-methylphenyl)-N2-(1-pyrenyl)benzene-1,2-diamine IUPAC Name: 1-N-(4-methylphenyl)-2-N-pyren-1-ylbenzene-1,2-diamine Traditional Name: [2-(p-toluidino)phenyl]-pyren-1-yl-amine Formula: C29H22N2 MolecularWeight: 398.49838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=CC=CC=C2NC3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC2=CC=CC=C2NC3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3

InChI

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