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

• Catalog: OFC2757085019
• CAS: 2757085-01-9
• Category: Fluorinated Catalysts
• Synonyms: [4,4'-Bis-Trifluoromethyl]Bis[(4-Fluorophenyl)Pyridine]Iridium(III) Hexafluorophosphate

• IUPAC Name: 2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium(3+);4-(trifluoromethyl)-2-[4-(trifluoromethyl)pyridin-2-yl]pyridine;hexafluorophosphate
• InChI: InChI=1S/C12H6F6N2.2C11H7FN.F6P.Ir/c13-11(14,15)7-1-3-19-9(5-7)10-6-8(2-4-20-10)12(16,17)18;2*12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;1-7(2,3,4,5)6;/h1-6H;2*1-4,6-8H;;/q;3*-1;+3
• InChI Key: DPLFHHLYTUHOIM-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC=NC(=C1)C2=[C-]C=C(C=C2)F.C1=CC=NC(=C1)C2=[C-]C=C(C=C2)F.C1=CN=C(C=C1C(F)(F)F)C2=NC=CC(=C2)C(F)(F)F.F[P-](F)(F)(F)(F)F.[Ir+3]

• Molecular Formula: C34H20F14IrN4P
• Molecular Weight: 973.72

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 21
• Rotatable Bond Count: 0
• Exact Mass: 974.08313 g/mol
• Monoisotopic Mass: 974.08313 g/mol
• Topological Polar Surface Area: 51.6Ų
• Heavy Atom Count: 54
• Formal Charge: 0
• Complexity: 1150