Ir[FCF3(CF3)ppy]2(4,4'-dCF3bpy)PF6

• Catalog: OFC2757085097
• CAS: 2757085-09-7
• Category: Fluorinated Catalysts
• Synonyms: Iridium(1+), [4,4'-bis(trifluoromethyl)-2,2'-bipyridine-κN1,κN1']bis[3-fluoro-5-(trifluoromethyl)-2-[5-(trifluoromethyl)-2-pyridinyl-κN]phenyl-κC]-, (OC-6-33)-, hexafluorophosphate(1-) (1:1)
• Purity: 97%

• IUPAC Name: 2-[2-fluoro-4-(trifluoromethyl)benzene-6-id-1-yl]-5-(trifluoromethyl)pyridine;iridium(3+);4-(trifluoromethyl)-2-[4-(trifluoromethyl)pyridin-2-yl]pyridine
• InChI: InChI=1S/2C13H5F7N.C12H6F6N2.Ir/c2*14-10-5-7(12(15,16)17)1-3-9(10)11-4-2-8(6-21-11)13(18,19)20;13-11(14,15)7-1-3-19-9(5-7)10-6-8(2-4-20-10)12(16,17)18;/h2*1-2,4-6H;1-6H;/q2*-1;;+3
• InChI Key: AKXLJDZBEJYDGY-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC(=NC=C1C(F)(F)F)C2=C(C=C(C=[C-]2)C(F)(F)F)F.C1=CC(=NC=C1C(F)(F)F)C2=C(C=C(C=[C-]2)C(F)(F)F)F.C1=CN=C(C=C1C(F)(F)F)C2=NC=CC(=C2)C(F)(F)F.[Ir+3]

• Molecular Formula: C38H16F20IrN4
• Molecular Weight: 1100.75
• Storage: Keep in dark place, inert atmosphere, room temperature

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 26
• Rotatable Bond Count: 0
• Exact Mass: 1101.06848 g/mol
• Monoisotopic Mass: 1101.06848 g/mol
• Topological Polar Surface Area: 51.6Ų
• Heavy Atom Count: 56
• Formal Charge: 1
• Complexity: 1590