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

Systemtic Name: N3,N6-bis(4-methoxyphenyl)-9-phenyl-N3,N6-di(pyren-1-yl)carbazole-3,6-diamine Openeye Name: N3,N6-bis(4-methoxyphenyl)-9-phenyl-N3,N6-di(pyren-1-yl)carbazole-3,6-diamine CAS Name: N3,N6-bis(4-methoxyphenyl)-9-phenyl-N3,N6-bis(1-pyrenyl)carbazole-3,6-diamine IUPAC Name: 3-N,6-N-bis(4-methoxyphenyl)-9-phenyl-3-N,6-N-di(pyren-1-yl)carbazole-3,6-diamine Traditional Name: (4-methoxyphenyl)-[6-(4-methoxy-N-pyren-1-yl-anilino)-9-phenyl-carbazol-3-yl]-pyren-1-yl-amine Formula: C64H43N3O2 MolecularWeight: 886.04512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(C2=CC3=C(C=C2)N(C4=C3C=C(C=C4)N(C5=CC=C(C=C5)OC)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

COC1=CC=C(C=C1)N(C2=CC3=C(C=C2)N(C4=C3C=C(C=C4)N(C5=CC=C(C=C5)OC)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/C64H43N3O2/c1-68-51-28-22-47(23-29-51)65(57-34-20-44-16-14-40-8-6-10-42-18-32-53(57)63(44)61(40)42)49-26-36-59-55(38-49)56-39-50(27-37-60(56)67(59)46-12-4-3-5-13-46)66(48-24-30-52(69-2)31-25-48)58-35-21-45-17-15-41-9-7-11-43-19-33-54(58)64(45)62(41)43/h3-39H,1-2H3