N-(4-bromophenyl)-N-(4-methylphenyl)pyren-1-amine

Systemtic Name: N-(4-bromophenyl)-N-(4-methylphenyl)pyren-1-amine Openeye Name: N-(4-bromophenyl)-N-(p-tolyl)pyren-1-amine CAS Name: N-(4-bromophenyl)-N-(4-methylphenyl)-1-pyrenamine IUPAC Name: N-(4-bromophenyl)-N-(4-methylphenyl)pyren-1-amine Traditional Name: (4-bromophenyl)-(p-tolyl)-pyren-1-yl-amine Formula: C29H20BrN MolecularWeight: 462.3798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(C2=CC=C(C=C2)Br)C3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3

Isomeric SMILES

CC1=CC=C(C=C1)N(C2=CC=C(C=C2)Br)C3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3

InChI

InChI=1S/C29H20BrN/c1-19-5-13-24(14-6-19)31(25-15-11-23(30)12-16-25)27-18-10-22-8-7-20-3-2-4-21-9-17-26(27)29(22)28(20)21/h2-18H,1H3