N1-(3-methylphenyl)-N2,N2-bis[(3-methylphenyl)-phenyl-amino]-N1-phenyl-benzene-1,2-diamine

Systemtic Name: N1-(3-methylphenyl)-N2,N2-bis[(3-methylphenyl)-phenyl-amino]-N1-phenyl-benzene-1,2-diamine Openeye Name: N1-(m-tolyl)-N2,N2-bis[N-(m-tolyl)anilino]-N1-phenyl-benzene-1,2-diamine CAS Name: N1-(3-methylphenyl)-N2,N2-bis(N-(3-methylphenyl)anilino)-N1-phenylbenzene-1,2-diamine IUPAC Name: 1-N-(3-methylphenyl)-2-N,2-N-bis(N-(3-methylphenyl)anilino)-1-N-phenylbenzene-1,2-diamine Traditional Name: bis[N-(m-tolyl)anilino]-[2-[N-(m-tolyl)anilino]phenyl]amine Formula: C45H40N4 MolecularWeight: 636.8259

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(C2=CC=CC=C2)C3=CC=CC=C3N(N(C4=CC=CC=C4)C5=CC=CC(=C5)C)N(C6=CC=CC=C6)C7=CC=CC(=C7)C

Isomeric SMILES

CC1=CC(=CC=C1)N(C2=CC=CC=C2)C3=CC=CC=C3N(N(C4=CC=CC=C4)C5=CC=CC(=C5)C)N(C6=CC=CC=C6)C7=CC=CC(=C7)C

InChI

InChI=1S/C45H40N4/c1-35-18-15-27-41(32-35)46(38-21-7-4-8-22-38)44-30-13-14-31-45(44)49(47(39-23-9-5-10-24-39)42-28-16-19-36(2)33-42)48(40-25-11-6-12-26-40)43-29-17-20-37(3)34-43/h4-34H,1-3H3