Ir[FCF3(CF3)ppy]2(5,5'-dCF3bpy)PF6

• Catalog: OFC2757085111
• CAS: 2757085-11-1
• Category: Fluorinated Catalysts
• Synonyms: Iridium(1+), [5,5'-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+);5-(trifluoromethyl)-2-[5-(trifluoromethyl)pyridin-2-yl]pyridine;hexafluorophosphate
• InChI: InChI=1S/2C13H5F7N.C12H6F6N2.F6P.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)7-1-3-9(19-5-7)10-4-2-8(6-20-10)12(16,17)18;1-7(2,3,4,5)6;/h2*1-2,4-6H;1-6H;;/q2*-1;;-1;+3
• InChI Key: SBLGPHQWHQVIFI-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC(=NC=C1C(F)(F)F)C2=NC=C(C=C2)C(F)(F)F.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.F[P-](F)(F)(F)(F)F.[Ir+3]

• Molecular Formula: C38H16F26IrN4P
• Molecular Weight: 1245.71
• Storage: Keep in dark place, inert atmosphere, room temperature

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 33
• Rotatable Bond Count: 0
• Exact Mass: 1246.03266 g/mol
• Monoisotopic Mass: 1246.03266 g/mol
• Topological Polar Surface Area: 51.6Ų
• Heavy Atom Count: 70
• Formal Charge: 0
• Complexity: 1650