3,4-diethanoylhexane-2,5-dione; iridium; 2-(4-propan-2-yloxynaphthalen-1-yl)-5-(trifluoromethyl)benzotriazole

Systemtic Name: 3,4-diethanoylhexane-2,5-dione; iridium; 2-(4-propan-2-yloxynaphthalen-1-yl)-5-(trifluoromethyl)benzotriazole Openeye Name: 3,4-diacetylhexane-2,5-dione; iridium; 2-(4-isopropoxy-1-naphthyl)-5-(trifluoromethyl)benzotriazole CAS Name: 3,4-diacetylhexane-2,5-dione; iridium; 2-(4-propan-2-yloxy-1-naphthalenyl)-5-(trifluoromethyl)benzotriazole IUPAC Name: 3,4-diacetylhexane-2,5-dione; iridium; 2-(4-propan-2-yloxynaphthalen-1-yl)-5-(trifluoromethyl)benzotriazole Traditional Name: 3,4-diacetylhexane-2,5-dione; iridium; 2-(4-isopropoxy-1-naphthyl)-5-(trifluoromethyl)benzotriazole Formula: C90H78F12Ir2N12O8 MolecularWeight: 2068.072758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C2=CC=CC=C21)N3N=C4C=CC(=CC4=N3)C(F)(F)F.CC(C)OC1=CC=C(C2=CC=CC=C21)N3N=C4C=CC(=CC4=N3)C(F)(F)F.CC(C)OC1=CC=C(C2=CC=CC=C21)N3N=C4C=CC(=CC4=N3)C(F)(F)F.CC(C)OC1=CC=C(C2=CC=CC=C21)N3N=C4C=CC(=CC4=N3)C(F)(F)F.CC(=O)C(C(C(=O)C)C(=O)C)C(=O)C.[Ir].[Ir]

Isomeric SMILES

CC(C)OC1=CC=C(C2=CC=CC=C21)N3N=C4C=CC(=CC4=N3)C(F)(F)F.CC(C)OC1=CC=C(C2=CC=CC=C21)N3N=C4C=CC(=CC4=N3)C(F)(F)F.CC(C)OC1=CC=C(C2=CC=CC=C21)N3N=C4C=CC(=CC4=N3)C(F)(F)F.CC(C)OC1=CC=C(C2=CC=CC=C21)N3N=C4C=CC(=CC4=N3)C(F)(F)F.CC(=O)C(C(C(=O)C)C(=O)C)C(=O)C.[Ir].[Ir]

InChI

InChI=1S/4C20H16F3N3O.C10H14O4.2Ir/c4*1-12(2)27-19-10-9-18(14-5-3-4-6-15(14)19)26-24-16-8-7-13(20(21,22)23)11-17(16)25-26;1-5(11)9(6(2)12)10(7(3)13)8(4)14;;/h4*3-12H,1-2H3;9-10H,1-4H3;;