Bis[3,5-difluoro-2-(2-pyridinyl)phenyl](2,2,6,6-tetramethyl-3,5-heptanedionato)iridium(III)

• Catalog: OFC562099109
• CAS: 562099-10-9
• Category: Fluorinated Catalysts
• Synonyms: Bis[3,5-Difluoro-2-(2-Pyridinyl-KappaN)Phenyl-KappaC](2,2,6,6-Tetramethyl-3,5-Heptanedionato-KappaO,KappaO')Iridium(III)

• IUPAC Name: 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium
• InChI: InChI=1S/2C11H6F2N.C11H20O2.Ir/c2*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;1-10(2,3)8(12)7-9(13)11(4,5)6;/h2*1-4,6-7H;7,12H,1-6H3;/q2*-1;;/b;;8-7-
• InChI Key: PYXVTIFTFZWJMC-JKSWPDJKSA-N
• Isomeric SMILES: CC(C)(C)/C(=C/C(=O)C(C)(C)C)/O.C1=CC=NC(=C1)C2=C(C=C(C=[C-]2)F)F.C1=CC=NC(=C1)C2=C(C=C(C=[C-]2)F)F.[Ir]

• Molecular Formula: C33H31F4IrN2O2
• Molecular Weight: 755.83

• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 5
• Exact Mass: 757.20291 g/mol
• Monoisotopic Mass: 757.20291 g/mol
• Topological Polar Surface Area: 63.1Ų
• Heavy Atom Count: 42
• Formal Charge: -2
• Complexity: 539