N1,N3-bis(4-methylphenyl)-N1,N3-di(pyren-1-yl)benzene-1,3-diamine

Systemtic Name: N1,N3-bis(4-methylphenyl)-N1,N3-di(pyren-1-yl)benzene-1,3-diamine Openeye Name: N1,N3-bis(p-tolyl)-N1,N3-di(pyren-1-yl)benzene-1,3-diamine CAS Name: N1,N3-bis(4-methylphenyl)-N1,N3-bis(1-pyrenyl)benzene-1,3-diamine IUPAC Name: 1-N,3-N-bis(4-methylphenyl)-1-N,3-N-di(pyren-1-yl)benzene-1,3-diamine Traditional Name: [3-(4-methyl-N-pyren-1-yl-anilino)phenyl]-(p-tolyl)-pyren-1-yl-amine Formula: C52H36N2 MolecularWeight: 688.85564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(C2=CC(=CC=C2)N(C3=CC=C(C=C3)C)C4=C5C=CC6=CC=CC7=C6C5=C(C=C7)C=C4)C8=C9C=CC1=CC=CC2=C1C9=C(C=C2)C=C8

Isomeric SMILES

CC1=CC=C(C=C1)N(C2=CC(=CC=C2)N(C3=CC=C(C=C3)C)C4=C5C=CC6=CC=CC7=C6C5=C(C=C7)C=C4)C8=C9C=CC1=CC=CC2=C1C9=C(C=C2)C=C8

InChI

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