9-butyl-6-[3,6-di(carbazol-9-yl)carbazol-9-yl]carbazole-3-carbaldehyde

Systemtic Name: 9-butyl-6-[3,6-di(carbazol-9-yl)carbazol-9-yl]carbazole-3-carbaldehyde Openeye Name: 9-butyl-6-[3,6-di(carbazol-9-yl)carbazol-9-yl]carbazole-3-carbaldehyde CAS Name: 6-[3,6-bis(9-carbazolyl)-9-carbazolyl]-9-butyl-3-carbazolecarboxaldehyde IUPAC Name: 9-butyl-6-[3,6-di(carbazol-9-yl)carbazol-9-yl]carbazole-3-carbaldehyde Traditional Name: 9-butyl-6-[3,6-di(carbazol-9-yl)carbazol-9-yl]carbazole-3-carbaldehyde Formula: C53H38N4O MolecularWeight: 746.89502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)C=O)C3=C1C=CC(=C3)N4C5=C(C=C(C=C5)N6C7=CC=CC=C7C8=CC=CC=C86)C9=C4C=CC(=C9)N1C2=CC=CC=C2C2=CC=CC=C21

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)C=O)C3=C1C=CC(=C3)N4C5=C(C=C(C=C5)N6C7=CC=CC=C7C8=CC=CC=C86)C9=C4C=CC(=C9)N1C2=CC=CC=C2C2=CC=CC=C21

InChI

InChI=1S/C53H38N4O/c1-2-3-28-54-46-24-20-34(33-58)29-42(46)43-30-35(21-25-47(43)54)57-52-26-22-36(55-48-16-8-4-12-38(48)39-13-5-9-17-49(39)55)31-44(52)45-32-37(23-27-53(45)57)56-50-18-10-6-14-40(50)41-15-7-11-19-51(41)56/h4-27,29-33H,2-3,28H2,1H3