Cas no 64536-77-2 (Iridium(1+), [(1,2,5,6-h)-1,5-cyclooctadiene](pyridine)(tricyclohexylphosphine)-)

Iridium(1+), [(1,2,5,6-h)-1,5-cyclooctadiene](pyridine)(tricyclohexylphosphine)- structure
64536-77-2 structure
Product Name:Iridium(1+), [(1,2,5,6-h)-1,5-cyclooctadiene](pyridine)(tricyclohexylphosphine)-
CAS No:64536-77-2
MF:C31H49F6IrNP2
MW:803.882406949997
CID:499840
PubChem ID:154825437
Update Time:2025-04-19

Iridium(1+), [(1,2,5,6-h)-1,5-cyclooctadiene](pyridine)(tricyclohexylphosphine)- Chemical and Physical Properties

Names and Identifiers

    • Iridium(1+), [(1,2,5,6-h)-1,5-cyclooctadiene](pyridine)(tricyclohexylphosphine)-
    • (CYCLOOCTA-1,5-DIENE) (PYRIDYL) (TRICYCLOHEXYLPHOSPHINE) IRIDIUM(I) HEXAFLUOROPHOSPHATE
    • 1,5-Cyclooctadiene,iridium complex
    • Phosphine, tricyclohexyl-, iridium complex
    • 64536-77-2
    • Inchi: 1S/C18H33P.C8H12.C5H4N.F6P.Ir/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-6-8-7-5-3-1;1-2-4-6-5-3-1;1-7(2,3,4,5)6;/h16-18H,1-15H2;1-2,7-8H,3-6H2;1-4H;;/q;;2*-1;/b;2-1-,8-7-;;;
    • InChI Key: TWHGSZDVKJKALE-KJWGIZLLSA-N
    • SMILES: [Ir].P(C1CCCCC1)(C1CCCCC1)C1CCCCC1.[P-](F)(F)(F)(F)(F)F.N1[C-]=CC=CC=1.C1C=CCCC=CC1 |c:34,38|

Computed Properties

  • Exact Mass: 804.28737g/mol
  • Monoisotopic Mass: 804.28737g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 41
  • Rotatable Bond Count: 3
  • Complexity: 446
  • Covalently-Bonded Unit Count: 5
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 2
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 12.4?2

Iridium(1+), [(1,2,5,6-h)-1,5-cyclooctadiene](pyridine)(tricyclohexylphosphine)- Related Literature

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