chempirical

Xantphos

C39H32OP2CAS 161265-03-8578.63 g/mol

Open in Covalent MOL file
POP
EtherPhosphine

Properties

Molecular formula
C39H32OP2
Molar mass
578.63 g/mol
Exact mass
578.1928 Da
Melting point
229–230 °C
logP
7.63Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
6

Identifiers

CAS number
161265-03-8
SMILES
CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21
InChIKey
CXNIUSPIQKWYAI-UHFFFAOYSA-N
InChI
InChI=1S/C39H32OP2/c1-39(2)33-25-15-27-35(41(29-17-7-3-8-18-29)30-19-9-4-10-20-30)37(33)40-38-34(39)26-16-28-36(38)42(31-21-11-5-12-22-31)32-23-13-6-14-24-32/h3-28H,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

11 names
  • Phosphine, 1,1′-(9,9-dimethyl-9H-xanthene-4,5-diyl)bis[1,1-diphenyl-
  • Phosphine, (9,9-dimethyl-9H-xanthene-4,5-diyl)bis[diphenyl-
  • 1,1′-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis[1,1-diphenylphosphine]
  • (9,9-Dimethyl-9H-xanthene-4,5-diyl)bis[diphenylphosphine]
  • 4,5-Bis(diphenylphosphino)-9,9-dimethylxanthene
  • 9,9-Dimethyl-4,5-bis(diphenylphosphino)xanthene
  • 4,5-Bis(diphenylphosphino)-9,9-dimethyl-9H-xanthene
  • 9,9-Dimethyl-4,5-bis(diphenylphosphino)-9H-xanthene
  • (9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(diphenylphosphane)
  • (5-Diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane
  • (9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(diphenylphosphine)

Work with Xantphos

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

[2′-(Amino-κN)[1,1′-biphenyl]-2-yl-κC]chloro[[5-(diphenylphosphino)-9,9-dimethyl-9H-xanthen-4-yl]diphenylphosphine-κP]palladium1375325-77-159 % similar [2′-(Amino-κN)[1,1′-biphenyl]-2-yl-κC][[5-(diphenylphosphino)-9,9-dimethyl-9H-xanthen-4-yl]diphenylphosphine-κP](methanesulfonato-κO)palladium1445085-97-151 % similar Dpephos166330-10-546 % similar 9,9-Dimethyl-9H-xanthene19814-75-643 % similar (2-Bromophenyl)diphenylphosphine62336-24-739 % similar tert-Butyldiphenylphosphine6002-34-237 % similar Triphenylphosphine603-35-035 % similar 9,9-Dimethyl-9,10-dihydroacridine6267-02-335 % similar

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

Elsewhere

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