Iridium-(2,2'-bipyridine-κN1,κN1')bis[3,5-difluoro-2-(5-methyl-2-pyridinyl-κN)phenyl-κC]-(OC-6-33)-hexafluorophosphate

• Catalog: OFC1335047294
• CAS: 1335047-29-4
• Category: Fluorinated Catalysts
• Synonyms: Iridium-(2,2'-bipyridine-κN1,κN1')bis[3,5-difluoro-2-(5-methyl-2-pyridinyl-κN)phenyl-κC]-(OC-6-33)-hexafluorophosphate
• Purity: 95%

• IUPAC Name: 2-(2,4-difluorobenzene-6-id-1-yl)-5-methylpyridine;iridium(3+);2-pyridin-2-ylpyridine;hexafluorophosphate
• InChI: InChI=1S/2C12H8F2N.C10H8N2.F6P.Ir/c2*1-8-2-5-12(15-7-8)10-4-3-9(13)6-11(10)14;1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-7(2,3,4,5)6;/h2*2-3,5-7H,1H3;1-8H;;/q2*-1;;-1;+3
• InChI Key: OLBCLOCLKZDFCN-UHFFFAOYSA-N
• Isomeric SMILES: CC1=CN=C(C=C1)C2=C(C=C(C=[C-]2)F)F.CC1=CN=C(C=C1)C2=C(C=C(C=[C-]2)F)F.C1=CC=NC(=C1)C2=CC=CC=N2.F[P-](F)(F)(F)(F)F.[Ir+3]

• Molecular Formula: C34H24F10IrN4P
• Molecular Weight: 901.76
• Storage: Keep in dark place, inert atmosphere, room temperature

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 0
• Exact Mass: 902.12081 g/mol
• Monoisotopic Mass: 902.12081 g/mol
• Topological Polar Surface Area: 51.6Ų
• Heavy Atom Count: 50
• Formal Charge: 0
• Complexity: 1060