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

• Catalog: OFC2757085031
• CAS: 2757085-03-1
• Category: Fluorinated Catalysts
• Synonyms: Iridium(1+), [5,5'-bis(trifluoromethyl)-2,2'-bipyridine-κN1,κN1']bis[5-fluoro-2-(2-pyridinyl-κN)phenyl-κC]-, (OC-6-33)-, hexafluorophosphate(1-) (1:1)
• Purity: 97%

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

• Molecular Formula: C34H20F8IrN4
• Molecular Weight: 828.75
• Storage: Keep in dark place, inert atmosphere, room temperature

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 0
• Exact Mass: 829.11895 g/mol
• Monoisotopic Mass: 829.11895 g/mol
• Topological Polar Surface Area: 51.6Ų
• Heavy Atom Count: 47
• Formal Charge: 1
• Complexity: 1080