4,5-Bis(dicyclohexylphosphino)-9,9-dimethyl-9H-xanthene

C₃₉H₅₆OP₂CAS 940934-47-4602.82 g/mol

Open in Covalent MOL file

Ether Phosphine

Properties

Molecular formula: C₃₉H₅₆OP₂
Molar mass: 602.82 g/mol
Exact mass: 602.3806 Da
logP: 11.66Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 6

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

940934-47-4

SMILES

CC1(C2=C(C(=CC=C2)P(C3CCCCC3)C4CCCCC4)OC5=C1C=CC=C5P(C6CCCCC6)C7CCCCC7)C

InChIKey

KFSJDZIGSNSKSJ-UHFFFAOYSA-N

InChI

InChI=1S/C39H56OP2/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/h15-16,25-32H,3-14,17-24H2,1-2H3

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Names and synonyms

1 names

4,5-Bis(dicyclohexylphosphino)-9,10A-dihydro- 9,9-dimethyl-8ah-xanthene

Work with 4,5-Bis(dicyclohexylphosphino)-9,9-dimethyl-9H-xanthene

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

1,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)161265-03-852 % similar Bis(2-dicyclohexylphosphinophenyl)ether434336-16-050 % similar 2-Dicyclohexylphosphino-2',6'-dimethoxybiphenyl657408-07-645 % similar 2-(Dicyclohexylphosphino)-2'-methoxybiphenyl255835-82-643 % similar 2-(Dicyclohexylphosphino)-2′-methylbiphenyl251320-86-242 % similar [2′,6′-Bis(1-methylethoxy)[1,1′-biphenyl]-2-yl]dicyclohexylphosphine787618-22-842 % similar 2-(Dicyclohexylphosphino)biphenyl247940-06-342 % similar [2',4'-Bis(1,1-dimethylethyl)-6'-methoxy[1,1'-biphenyl]-2-yl]dicyclohexylphosphine1848244-75-641 % similar

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

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