iridium; 5-methyl-2-phenyl-4-(phenylcarbonyl)-1H-pyrazol-3-one; 2-naphthalen-1-yl-4-(trifluoromethyl)benzotriazole

Systemtic Name: iridium; 5-methyl-2-phenyl-4-(phenylcarbonyl)-1H-pyrazol-3-one; 2-naphthalen-1-yl-4-(trifluoromethyl)benzotriazole Openeye Name: 4-benzoyl-5-methyl-2-phenyl-1H-pyrazol-3-one; iridium; 2-(1-naphthyl)-4-(trifluoromethyl)benzotriazole CAS Name: 4-benzoyl-5-methyl-2-phenyl-1H-pyrazol-3-one; iridium; 2-(1-naphthalenyl)-4-(trifluoromethyl)benzotriazole IUPAC Name: 4-benzoyl-5-methyl-2-phenyl-1H-pyrazol-3-one; iridium; 2-naphthalen-1-yl-4-(trifluoromethyl)benzotriazole Traditional Name: 4-benzoyl-5-methyl-2-phenyl-3-pyrazolin-3-one; iridium; 2-(1-naphthyl)-4-(trifluoromethyl)benzotriazole Formula: C51H34F6IrN8O2 MolecularWeight: 1097.075479

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(=O)C3=CC=CC=C3.C1=CC=C2C(=C1)C=CC=C2N3N=C4C=CC=C(C4=N3)C(F)(F)F.C1=CC=C2C(=C1)C=CC=C2N3N=C4C=CC=C(C4=N3)C(F)(F)F.[Ir]

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(=O)C3=CC=CC=C3.C1=CC=C2C(=C1)C=CC=C2N3N=C4C=CC=C(C4=N3)C(F)(F)F.C1=CC=C2C(=C1)C=CC=C2N3N=C4C=CC=C(C4=N3)C(F)(F)F.[Ir]

InChI

InChI=1S/2C17H10F3N3.C17H14N2O2.Ir/c2*18-17(19,20)13-8-4-9-14-16(13)22-23(21-14)15-10-3-6-11-5-1-2-7-12(11)15;1-12-15(16(20)13-8-4-2-5-9-13)17(21)19(18-12)14-10-6-3-7-11-14;/h2*1-10H;2-11,18H,1H3;