N3,N6,9-triphenyl-N3,N6-di(pyren-1-yl)carbazole-3,6-diamine

Systemtic Name: N3,N6,9-triphenyl-N3,N6-di(pyren-1-yl)carbazole-3,6-diamine Openeye Name: N3,N6,9-triphenyl-N3,N6-di(pyren-1-yl)carbazole-3,6-diamine CAS Name: N3,N6,9-triphenyl-N3,N6-bis(1-pyrenyl)carbazole-3,6-diamine IUPAC Name: 3-N,6-N,9-triphenyl-3-N,6-N-di(pyren-1-yl)carbazole-3,6-diamine Traditional Name: phenyl-[9-phenyl-6-(N-pyren-1-ylanilino)carbazol-3-yl]-pyren-1-yl-amine Formula: C62H39N3 MolecularWeight: 825.99316

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)N(C4=CC=CC=C4)C5=C6C=CC7=CC=CC8=C7C6=C(C=C8)C=C5)C9=C2C=CC(=C9)N(C1=CC=CC=C1)C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)N(C4=CC=CC=C4)C5=C6C=CC7=CC=CC8=C7C6=C(C=C8)C=C5)C9=C2C=CC(=C9)N(C1=CC=CC=C1)C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

InChI

InChI=1S/C62H39N3/c1-4-16-46(17-5-1)63(55-34-28-44-24-22-40-12-10-14-42-26-32-51(55)61(44)59(40)42)49-30-36-57-53(38-49)54-39-50(31-37-58(54)65(57)48-20-8-3-9-21-48)64(47-18-6-2-7-19-47)56-35-29-45-25-23-41-13-11-15-43-27-33-52(56)62(45)60(41)43/h1-39H