N1,N3-bis(2-methylphenyl)-N1,N3-di(pyren-1-yl)benzene-1,3-diamine

Systemtic Name: N1,N3-bis(2-methylphenyl)-N1,N3-di(pyren-1-yl)benzene-1,3-diamine Openeye Name: N1,N3-bis(o-tolyl)-N1,N3-di(pyren-1-yl)benzene-1,3-diamine CAS Name: N1,N3-bis(2-methylphenyl)-N1,N3-bis(1-pyrenyl)benzene-1,3-diamine IUPAC Name: 1-N,3-N-bis(2-methylphenyl)-1-N,3-N-di(pyren-1-yl)benzene-1,3-diamine Traditional Name: [3-(2-methyl-N-pyren-1-yl-anilino)phenyl]-(o-tolyl)-pyren-1-yl-amine Formula: C52H36N2 MolecularWeight: 688.85564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N(C2=CC(=CC=C2)N(C3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3)C7=CC=CC=C7C)C8=C9C=CC1=CC=CC2=C1C9=C(C=C2)C=C8

Isomeric SMILES

CC1=CC=CC=C1N(C2=CC(=CC=C2)N(C3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3)C7=CC=CC=C7C)C8=C9C=CC1=CC=CC2=C1C9=C(C=C2)C=C8

InChI

InChI=1S/C52H36N2/c1-33-10-3-5-18-45(33)53(47-30-26-39-22-20-35-12-7-14-37-24-28-43(47)51(39)49(35)37)41-16-9-17-42(32-41)54(46-19-6-4-11-34(46)2)48-31-27-40-23-21-36-13-8-15-38-25-29-44(48)52(40)50(36)38/h3-32H,1-2H3