Bis[2-(2,4-difluorophenyl)pyridine][4,4'-di-tert-butyl-2,2'-bipyridine] iridium(III) hexafluorophosphate

• Catalog: OFC1072067447
• CAS: 1072067-44-7
• Category: Fluorinated Catalysts
• Synonyms: iridium(3+) ion bis(3,5-difluoro-2-(pyridin-2-yl)benzen-1-ide) 4-tert-butyl-2-(4-tert-butylpyridin-2-yl)pyridine hexafluoro-lambda5-phosphanuide
• Purity: >95.00%

• IUPAC Name: 4-tert-butyl-2-(4-tert-butylpyridin-2-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium(3+);hexafluorophosphate
• InChI: InChI=1S/C18H24N2.2C11H6F2N.F6P.Ir/c1-17(2,3)13-7-9-19-15(11-13)16-12-14(8-10-20-16)18(4,5)6;2*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;1-7(2,3,4,5)6;/h7-12H,1-6H3;2*1-4,6-7H;;/q;3*-1;+3
• InChI Key: YTFMVASKFDAIDY-UHFFFAOYSA-N
• Isomeric SMILES: CC(C)(C)C1=CC(=NC=C1)C2=NC=CC(=C2)C(C)(C)C.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.F[P-](F)(F)(F)(F)F.[Ir+3]
• EC Number: 820-928-7

• Molecular Formula: C40H36F10IrN4P
• Molecular Weight: 985.92
• Appearance: Yellow powder
• Storage: -20 °C in the dark place
• Stability: Air sensitive

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 5
• Exact Mass: 986.21471 g/mol
• Monoisotopic Mass: 986.21471 g/mol
• Topological Polar Surface Area: 51.6Ų
• Heavy Atom Count: 56
• Formal Charge: 0
• Complexity: 656