iridium; 2-phenylpyridine; (4-pyridin-2-ylbenzene-5-id-1-yl) 4-carbazol-9-yl-2-ethyl-pentanoate

Systemtic Name: iridium; 2-phenylpyridine; (4-pyridin-2-ylbenzene-5-id-1-yl) 4-carbazol-9-yl-2-ethyl-pentanoate Openeye Name: iridium; 2-phenylpyridine; [4-(2-pyridyl)benzene-5-id-1-yl] 4-carbazol-9-yl-2-ethyl-pentanoate CAS Name: 4-(9-carbazolyl)-2-ethylpentanoic acid [4-(2-pyridinyl)-1-benzene-5-idyl] ester; iridium; 2-phenylpyridine IUPAC Name: iridium; 2-phenylpyridine; (4-pyridin-2-ylbenzene-5-id-1-yl) 4-carbazol-9-yl-2-ethylpentanoate Traditional Name: 4-carbazol-9-yl-2-ethyl-valeric acid [4-(2-pyridyl)benzene-5-id-1-yl] ester; iridium; 2-phenylpyridine Formula: C41H35IrN3O2-2 MolecularWeight: 793.9525

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C)N1C2=CC=CC=C2C3=CC=CC=C31)C(=O)OC4=CC=C([C-]=C4)C5=CC=CC=N5.C1=CC=C([C-]=C1)C2=CC=CC=N2.[Ir]

Isomeric SMILES

CCC(CC(C)N1C2=CC=CC=C2C3=CC=CC=C31)C(=O)OC4=CC=C([C-]=C4)C5=CC=CC=N5.C1=CC=C([C-]=C1)C2=CC=CC=N2.[Ir]

InChI

InChI=1S/C30H27N2O2.C11H8N.Ir/c1-3-22(30(33)34-24-17-15-23(16-18-24)27-12-8-9-19-31-27)20-21(2)32-28-13-6-4-10-25(28)26-11-5-7-14-29(26)32;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h4-15,17-19,21-22H,3,20H2,1-2H3;1-6,8-9H;/q2*-1;