chempirical

Xphos

C33H49PCAS 564483-18-7476.73 g/mol

Open in Covalent MOL file
P
Phosphine

Properties

Molecular formula
C33H49P
Molar mass
476.73 g/mol
Exact mass
476.3572 Da
Melting point
182–184 °C
logP
10.50Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
7

Identifiers

CAS number
564483-18-7
SMILES
CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1
InChIKey
UGOMMVLRQDMAQQ-UHFFFAOYSA-N
InChI
InChI=1S/C33H49P/c1-23(2)26-21-30(24(3)4)33(31(22-26)25(5)6)29-19-13-14-20-32(29)34(27-15-9-7-10-16-27)28-17-11-8-12-18-28/h13-14,19-25,27-28H,7-12,15-18H2,1-6H3

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Names and synonyms

10 names
  • 2-Dicyclohexylphosphino-2′,4′,6′-triisoprophylbiphenyl
  • Phosphine, dicyclohexyl[2′,4′,6′-tris(1-methylethyl)[1,1′-biphenyl]-2-yl]-
  • Dicyclohexyl[2′,4′,6′-tris(1-methylethyl)[1,1′-biphenyl]-2-yl]phosphine
  • X-Phos
  • 2-(Dicyclohexylphosphino)-2′,4′,6′-triisopropyl-1,1′-biphenyl
  • 2,,4′,6′-Diisopropyl-1,1′-biphenyl-2-yldicyclohexylphosphine
  • Dicyclohexyl(2′,4′,6′-triisopropylbiphenyl-2-yl)phosphine
  • 2-(Dicyclohexylphosphino)-2′,4′,6′-tri(isopropyl)biphenyl
  • [2′,4′,6′-Triisopropyl-1,1′-biphenyl-2-yl]dicyclohexylphosphine
  • Dicyclohexyl(2′,4′,6′-triisopropyl[1,1′-biphenyl]-2-yl)phosphine

Work with Xphos

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Xphos pd G11028206-56-563 % similar Dicyclohexyl[3,6-dimethoxy-2′,4′,6′-tris(1-methylethyl)[1,1′-biphenyl]-2-yl]phosphine1070663-78-357 % similar Sphos657408-07-654 % similar [2′,6′-Bis(1-methylethoxy)[1,1′-biphenyl]-2-yl]dicyclohexylphosphine787618-22-854 % similar Cphos1160556-64-853 % similar 2-(Dicyclohexylphosphino)biphenyl247940-06-352 % similar 2-(Dicyclohexylphosphino)-2′-methylbiphenyl251320-86-252 % similar 2′-(Dicyclohexylphosphino)-N,N-dimethyl[1,1′-biphenyl]-2-amine213697-53-149 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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