Tris [2-[4-(1,1-dimethylethyl)-2-pyridyl]-3,5-difluorophenyl] Iridium

• Catalog: OFC1380203575
• CAS: 1380203-57-5
• Category: Fluorinated Catalysts
• Synonyms: Ir[DF(T-Bu)-Ppy]3

• IUPAC Name: 4-tert-butyl-2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium(3+)
• InChI: InChI=1S/3C15H14F2N.Ir/c3*1-15(2,3)10-6-7-18-14(8-10)12-5-4-11(16)9-13(12)17;/h3*4,6-9H,1-3H3;/q3*-1;+3
• InChI Key: ZYCGNYVEOFWBLK-UHFFFAOYSA-N
• Isomeric SMILES: CC(C)(C)C1=CC(=NC=C1)C2=C(C=C(C=[C-]2)F)F.CC(C)(C)C1=CC(=NC=C1)C2=C(C=C(C=[C-]2)F)F.CC(C)(C)C1=CC(=NC=C1)C2=C(C=C(C=[C-]2)F)F.[Ir+3]

• Molecular Formula: C45H42F6IrN3
• Molecular Weight: 931.04

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 6
• Exact Mass: 931.29122 g/mol
• Monoisotopic Mass: 931.29122 g/mol
• Topological Polar Surface Area: 38.7Ų
• Heavy Atom Count: 55
• Formal Charge: 0
• Complexity: 1440