Cas no 221462-97-1 (Phosphine,1,1'-[2,7-bis(1,1-dimethylethyl)-9,9-dimethyl-9H-xanthene-4,5-diyl]bis[1,1-diphenyl-)

Phosphine,1,1'-[2,7-bis(1,1-dimethylethyl)-9,9-dimethyl-9H-xanthene-4,5-diyl]bis[1,1-diphenyl- structure
221462-97-1 structure
Product Name:Phosphine,1,1'-[2,7-bis(1,1-dimethylethyl)-9,9-dimethyl-9H-xanthene-4,5-diyl]bis[1,1-diphenyl-
CAS No:221462-97-1
MF:C47H48OP2
MW:690.830954551697
MDL:MFCD07368351
CID:244259
PubChem ID:11534901
Update Time:2025-04-19

Phosphine,1,1'-[2,7-bis(1,1-dimethylethyl)-9,9-dimethyl-9H-xanthene-4,5-diyl]bis[1,1-diphenyl- Chemical and Physical Properties

Names and Identifiers

    • Phosphine,1,1'-[2,7-bis(1,1-dimethylethyl)-9,9-dimethyl-9H-xanthene-4,5-diyl]bis[1,1-diphenyl-
    • (R,R)-2,7-DI-TERT-BUTYL-9,9-DIMETHYL-4,5-BIS(METHYLPHENYLPHOSPHINO)XANTHENE
    • 2,7-DI-TERT-BUTYL-9,9-DIMETHYL-4,5-BIS(METHYLPHENYLPHOSPHINO)XANTHENE
    • 2,5-DIMETHYL-4'-PYRROLIDINOMETHYL BENZOPHENONE
    • 4,5-DIPHENYLPHOSPHINO-2,7-DI-TERT-BUTYL-9,9-DIMETHYLXANTHENE
    • 4,7-di-tert-butylXantphos
    • tBuXantphos
    • 2,7-di-tert-butyl-9,9-dimethyl-4,5-bis(diphenylphosphino)xanthene
    • CS-0203259
    • KDKJDGIJQNFICS-UHFFFAOYSA-N
    • SCHEMBL708320
    • 221462-97-1
    • MDL: MFCD07368351
    • Inchi: 1S/C47H48OP2/c1-45(2,3)33-29-39-43(41(31-33)49(35-21-13-9-14-22-35)36-23-15-10-16-24-36)48-44-40(47(39,7)8)30-34(46(4,5)6)32-42(44)50(37-25-17-11-18-26-37)38-27-19-12-20-28-38/h9-32H,1-8H3
    • InChI Key: KDKJDGIJQNFICS-UHFFFAOYSA-N
    • SMILES: P(C1C=CC=CC=1)(C1C=CC=CC=1)C1=CC(=CC2=C1OC1C(=CC(=CC=1C2(C)C)C(C)(C)C)P(C1C=CC=CC=1)C1C=CC=CC=1)C(C)(C)C

Computed Properties

  • Exact Mass: 566.28700
  • Monoisotopic Mass: 690.31804015g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 50
  • Rotatable Bond Count: 8
  • Complexity: 944
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 13
  • Topological Polar Surface Area: 9.2?2

Experimental Properties

  • PSA: 36.41000
  • LogP: 8.83820

Phosphine,1,1'-[2,7-bis(1,1-dimethylethyl)-9,9-dimethyl-9H-xanthene-4,5-diyl]bis[1,1-diphenyl- Pricemore >>

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