3-[3,6-ditert-butyl-9-ethyl-8-(1,10-phenanthrolin-3-yl)carbazol-1-yl]-1,10-phenanthroline

Systemtic Name: 3-[3,6-ditert-butyl-9-ethyl-8-(1,10-phenanthrolin-3-yl)carbazol-1-yl]-1,10-phenanthroline Openeye Name: 3-[3,6-ditert-butyl-9-ethyl-8-(1,10-phenanthrolin-3-yl)carbazol-1-yl]-1,10-phenanthroline CAS Name: 3-[3,6-ditert-butyl-9-ethyl-8-(1,10-phenanthrolin-3-yl)-1-carbazolyl]-1,10-phenanthroline IUPAC Name: 3-[3,6-ditert-butyl-9-ethyl-8-(1,10-phenanthrolin-3-yl)carbazol-1-yl]-1,10-phenanthroline Traditional Name: 3-[3,6-ditert-butyl-9-ethyl-8-(1,10-phenanthrolin-3-yl)carbazol-1-yl]-1,10-phenanthroline Formula: C46H41N5 MolecularWeight: 663.85124

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2C3=CC(=CC(=C31)C4=CN=C5C(=C4)C=CC6=C5N=CC=C6)C(C)(C)C)C(C)(C)C)C7=CN=C8C(=C7)C=CC9=C8N=CC=C9

Isomeric SMILES

CCN1C2=C(C=C(C=C2C3=CC(=CC(=C31)C4=CN=C5C(=C4)C=CC6=C5N=CC=C6)C(C)(C)C)C(C)(C)C)C7=CN=C8C(=C7)C=CC9=C8N=CC=C9

InChI

InChI=1S/C46H41N5/c1-8-51-43-35(31-19-29-15-13-27-11-9-17-47-39(27)41(29)49-25-31)21-33(45(2,3)4)23-37(43)38-24-34(46(5,6)7)22-36(44(38)51)32-20-30-16-14-28-12-10-18-48-40(28)42(30)50-26-32/h9-26H,8H2,1-7H3