[5,5'-Bis-trifluoromethyl]bis[2-(2,4-difluorophenyl)pyridine]iridium(III) hexafluorophosphate

• Catalog: OFC2757084992
• CAS: 2757084-99-2
• Category: Fluorinated Catalysts
• Synonyms: Iridium(1+), [5,5'-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+);5-(trifluoromethyl)-2-[5-(trifluoromethyl)pyridin-2-yl]pyridine;hexafluorophosphate
• InChI: InChI=1S/C12H6F6N2.2C11H6F2N.F6P.Ir/c13-11(14,15)7-1-3-9(19-5-7)10-4-2-8(6-20-10)12(16,17)18;2*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;1-7(2,3,4,5)6;/h1-6H;2*1-4,6-7H;;/q;3*-1;+3
• InChI Key: UPYGGFXQSZEOAX-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=CC(=NC=C1C(F)(F)F)C2=NC=C(C=C2)C(F)(F)F.F[P-](F)(F)(F)(F)F.[Ir+3]

• Molecular Formula: C34H18F16IrN4P
• Molecular Weight: 1009.70
• Storage: Keep in dark place, inert atmosphere, room temperature

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 23
• Rotatable Bond Count: 0
• Exact Mass: 1010.06428 g/mol
• Monoisotopic Mass: 1010.06428 g/mol
• Topological Polar Surface Area: 51.6Ų
• Heavy Atom Count: 56
• Formal Charge: 0
• Complexity: 1240