iridium(3+); pentane-2,4-dione; 2-(4-phenylbenzene-6-id-1-yl)benzotriazole

Systemtic Name: iridium(3+); pentane-2,4-dione; 2-(4-phenylbenzene-6-id-1-yl)benzotriazole Openeye Name: iridium(3+); pentane-2,4-dione; 2-(4-phenylbenzene-6-id-1-yl)benzotriazole CAS Name: iridium(3+); pentane-2,4-dione; 2-(4-phenyl-1-benzene-6-idyl)benzotriazole IUPAC Name: iridium(3+); pentane-2,4-dione; 2-(4-phenylbenzene-6-id-1-yl)benzotriazole Traditional Name: iridium(3+); pentane-2,4-dione; 2-(4-phenylbenzene-6-id-1-yl)benzotriazole Formula: C41H32IrN6O2+ MolecularWeight: 832.94878

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)C.C1=CC=C(C=C1)C2=CC=C([C-]=C2)N3N=C4C=CC=CC4=N3.C1=CC=C(C=C1)C2=CC=C([C-]=C2)N3N=C4C=CC=CC4=N3.[Ir+3]

Isomeric SMILES

CC(=O)CC(=O)C.C1=CC=C(C=C1)C2=CC=C([C-]=C2)N3N=C4C=CC=CC4=N3.C1=CC=C(C=C1)C2=CC=C([C-]=C2)N3N=C4C=CC=CC4=N3.[Ir+3]

InChI

InChI=1S/2C18H12N3.C5H8O2.Ir/c2*1-2-6-14(7-3-1)15-10-12-16(13-11-15)21-19-17-8-4-5-9-18(17)20-21;1-4(6)3-5(2)7;/h2*1-12H;3H2,1-2H3;/q2*-1;;+3