(Sp-4-3)-[dicyclohexyl(2′,6′-dimethoxy[1,1′-biphenyl]-2-yl)phosphine-κP](methanesulfonato-κO)[2′-(methylamino-κN)[1,1′-biphenyl]-2-yl-κC]palladium

C₄₀H₅₀NO₅PPdSCAS 1599466-87-1794.30 g/mol

Open in Covalent MOL file

Secondary Amine Sulfone

Properties

Molecular formula: C₄₀H₅₀NO₅PPdS
Molar mass: 794.30 g/mol
Exact mass: 793.2182 Da
logP: 9.50Crippen estimate
Polar surface area: 87.7 Å²
H-bond donors / acceptors: 1 / 6
Rotatable bonds: 8

Identifiers

CAS number

1599466-87-1

SMILES

CNc1ccccc1-c1[c-]cccc1.COc1cccc(OC)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1.CS(=O)(=O)[O-].[Pd+2]

InChIKey

AWHJYVBFTFXWCQ-UHFFFAOYSA-M

InChI

InChI=1S/C26H35O2P.C13H12N.CH4O3S.Pd/c1-27-23-17-11-18-24(28-2)26(23)22-16-9-10-19-25(22)29(20-12-5-3-6-13-20)21-14-7-4-8-15-21;1-14-13-10-6-5-9-12(13)11-7-3-2-4-8-11;1-5(2,3)4;/h9-11,16-21H,3-8,12-15H2,1-2H3;2-7,9-10,14H,1H3;1H3,(H,2,3,4);/q;-1;;+2/p-1

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Names and synonyms

2 names

Palladium, [dicyclohexyl(2′,6′-dimethoxy[1,1′-biphenyl]-2-yl)phosphine-κP](methanesulfonato-κO)[2′-(methylamino-κN)[1,1′-biphenyl]-2-yl-κC]-, (SP-4-3)-
SPhos Pd G4

Work with (Sp-4-3)-[dicyclohexyl(2′,6′-dimethoxy[1,1′-biphenyl]-2-yl)phosphine-κP](methanesulfonato-κO)[2′-(methylamino-κN)[1,1′-biphenyl]-2-yl-κC]palladium

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

Elsewhere

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