[4,4'-Bis-trifluoromethyl]bis[2-(2,4-difluorophenyl)pyridine]iridium(III) hexafluorophosphate

• Catalog: OFC2757084970
• CAS: 2757084-97-0
• Category: Fluorinated Catalysts
• Synonyms: Iridium(1+), [4,4'-bis(trifluoromethyl)-2,2'-bipyridine-κN1,κN1']bis[3,5-difluoro-2-(2-pyridinyl-κN)phenyl-κC]-, (OC-6-33)-, hexafluorophosphate(1-) (1:1)
• Purity: 97%

• IUPAC Name: 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium(3+);4-(trifluoromethyl)-2-[4-(trifluoromethyl)pyridin-2-yl]pyridine
• InChI: InChI=1S/C12H6F6N2.2C11H6F2N.Ir/c13-11(14,15)7-1-3-19-9(5-7)10-6-8(2-4-20-10)12(16,17)18;2*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;/h1-6H;2*1-4,6-7H;/q;2*-1;+3
• InChI Key: QRVMGONWDKBGEI-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC=NC(=C1)C2=C(C=C(C=[C-]2)F)F.C1=CC=NC(=C1)C2=C(C=C(C=[C-]2)F)F.C1=CN=C(C=C1C(F)(F)F)C2=NC=CC(=C2)C(F)(F)F.[Ir+3]

• Molecular Formula: C34H18F10IrN4
• Molecular Weight: 864.73
• Storage: Keep in dark place, inert atmosphere, room temperature

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 0
• Exact Mass: 865.10010 g/mol
• Monoisotopic Mass: 865.10010 g/mol
• Topological Polar Surface Area: 51.6Ų
• Heavy Atom Count: 49
• Formal Charge: 1
• Complexity: 1170