N3,N6-bis(4-methylphenyl)-9-phenyl-N3,N6-di(pyren-1-yl)carbazole-3,6-diamine

Systemtic Name: N3,N6-bis(4-methylphenyl)-9-phenyl-N3,N6-di(pyren-1-yl)carbazole-3,6-diamine Openeye Name: 9-phenyl-N3,N6-bis(p-tolyl)-N3,N6-di(pyren-1-yl)carbazole-3,6-diamine CAS Name: N3,N6-bis(4-methylphenyl)-9-phenyl-N3,N6-bis(1-pyrenyl)carbazole-3,6-diamine IUPAC Name: 3-N,6-N-bis(4-methylphenyl)-9-phenyl-3-N,6-N-di(pyren-1-yl)carbazole-3,6-diamine Traditional Name: [6-(4-methyl-N-pyren-1-yl-anilino)-9-phenyl-carbazol-3-yl]-(p-tolyl)-pyren-1-yl-amine Formula: C64H43N3 MolecularWeight: 854.04632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(C2=CC3=C(C=C2)N(C4=C3C=C(C=C4)N(C5=CC=C(C=C5)C)C6=C7C=CC8=CC=CC9=C8C7=C(C=C9)C=C6)C1=CC=CC=C1)C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

Isomeric SMILES

CC1=CC=C(C=C1)N(C2=CC3=C(C=C2)N(C4=C3C=C(C=C4)N(C5=CC=C(C=C5)C)C6=C7C=CC8=CC=CC9=C8C7=C(C=C9)C=C6)C1=CC=CC=C1)C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

InChI

InChI=1S/C64H43N3/c1-40-14-26-49(27-15-40)65(57-34-24-46-20-18-42-8-6-10-44-22-32-53(57)63(46)61(42)44)51-30-36-59-55(38-51)56-39-52(31-37-60(56)67(59)48-12-4-3-5-13-48)66(50-28-16-41(2)17-29-50)58-35-25-47-21-19-43-9-7-11-45-23-33-54(58)64(47)62(43)45/h3-39H,1-2H3