(5,5'-Difluoro-2,2'-bipyridine)bis[3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]phenyl]Iridium hexafluorophosphate

• Catalog: OFC2030437922
• CAS: 2030437-92-2
• Category: Fluorinated Metal Complexes; Fluorinated Catalysts
• Synonyms: Ir[dFFppy]2-(4,4'-dCF3bpy)PF6

• IUPAC Name: 2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;5-fluoro-2-(5-fluoropyridin-2-yl)pyridine;iridium(3+);hexafluorophosphate
• InChI: InChI=1S/2C12H5F5N.C10H6F2N2.F6P.Ir/c2*13-8-2-3-9(10(14)5-8)11-4-1-7(6-18-11)12(15,16)17;11-7-1-3-9(13-5-7)10-4-2-8(12)6-14-10;1-7(2,3,4,5)6;/h2*1-2,4-6H;1-6H;;/q2*-1;;-1;+3
• InChI Key: PCKUIWJUQPSZPU-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC(=NC=C1C(F)(F)F)C2=C(C=C(C=[C-]2)F)F.C1=CC(=NC=C1C(F)(F)F)C2=C(C=C(C=[C-]2)F)F.C1=CC(=NC=C1F)C2=NC=C(C=C2)F.F[P-](F)(F)(F)(F)F.[Ir+3]

• Molecular Formula: C34H16F18IrN4P
• Molecular Weight: 1045.67

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 25
• Rotatable Bond Count: 3
• Exact Mass: 1046.04544 g/mol
• Monoisotopic Mass: 1046.04544 g/mol
• Topological Polar Surface Area: 51.6Ų
• Heavy Atom Count: 58
• Formal Charge: 0
• Complexity: 1160