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

• Catalog: OFC2757085075
• CAS: 2757085-07-5
• Category: Fluorinated Catalysts
• Synonyms: [4,4'-Bis-Trifluoromethyl]Bis[(2,4-Difluoro-2-(5-Methyl-2-Pyridinyl)Phenyl]Iridium(III) Hexafluorophosphate

• IUPAC Name: 2-(2,4-difluorobenzene-6-id-1-yl)-5-methylpyridine;iridium(3+);5-(trifluoromethyl)-2-[5-(trifluoromethyl)pyridin-2-yl]pyridine;hexafluorophosphate
• InChI: InChI=1S/C12H6F6N2.2C12H8F2N.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*1-8-2-5-12(15-7-8)10-4-3-9(13)6-11(10)14;1-7(2,3,4,5)6;/h1-6H;2*2-3,5-7H,1H3;;/q;3*-1;+3
• InChI Key: CXQSROLJYUSNLL-UHFFFAOYSA-N
• Isomeric SMILES: CC1=CN=C(C=C1)C2=C(C=C(C=[C-]2)F)F.CC1=CN=C(C=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: C36H22F16IrN4P
• Molecular Weight: 1037.75

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 23
• Rotatable Bond Count: 0
• Exact Mass: 1038.09558 g/mol
• Monoisotopic Mass: 1038.09558 g/mol
• Topological Polar Surface Area: 51.6Ų
• Heavy Atom Count: 58
• Formal Charge: 0
• Complexity: 1300