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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(C2=CC(=CC=C2)N(C3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3)C7=CC=CC(=C7)C)C8=C9C=CC1=CC=CC2=C1C9=C(C=C2)C=C8

Isomeric SMILES

CC1=CC(=CC=C1)N(C2=CC(=CC=C2)N(C3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3)C7=CC=CC(=C7)C)C8=C9C=CC1=CC=CC2=C1C9=C(C=C2)C=C8

InChI

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