[2′-(Amino-κN)[1,1′-biphenyl]-2-yl-κC][2′-(dicyclohexylphosphino-κP)-N2,N2,N6,N6-tetramethyl[1,1′-biphenyl]-2,6-diamine](methanesulfonato-κO)palladium

C₄₁H₅₄N₃O₃PPdSCAS 1447963-73-6806.35 g/mol

Open in Covalent MOL file

Primary Amine Sulfone Tertiary Amine

Properties

Molecular formula: C₄₁H₅₄N₃O₃PPdS
Molar mass: 806.35 g/mol
Exact mass: 805.2658 Da
logP: 9.15Crippen estimate
Polar surface area: 89.7 Å²
H-bond donors / acceptors: 1 / 6
Rotatable bonds: 7

Identifiers

CAS number

1447963-73-6

SMILES

CN(C)c1cccc(N(C)C)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1.CS(=O)(=O)[O-].Nc1ccccc1-c1[c-]cccc1.[Pd+2]

InChIKey

QAUJHLYEFTZVSE-UHFFFAOYSA-M

InChI

InChI=1S/C28H41N2P.C12H10N.CH4O3S.Pd/c1-29(2)25-19-13-20-26(30(3)4)28(25)24-18-11-12-21-27(24)31(22-14-7-5-8-15-22)23-16-9-6-10-17-23;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-5(2,3)4;/h11-13,18-23H,5-10,14-17H2,1-4H3;1-6,8-9H,13H2;1H3,(H,2,3,4);/q;-1;;+2/p-1

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Names and synonyms

5 names

Palladium, [2′-(amino-κN)[1,1′-biphenyl]-2-yl-κC][2′-(dicyclohexylphosphino-κP)-N2,N2,N6,N6-tetramethyl[1,1′-biphenyl]-2,6-diamine](methanesulfonato-κO)-
CPhos palladacycle gen. 3
CPhos Pd G3
CPhos G3 Palladacycle
CPhos G3

Work with [2′-(Amino-κN)[1,1′-biphenyl]-2-yl-κC][2′-(dicyclohexylphosphino-κP)-N2,N2,N6,N6-tetramethyl[1,1′-biphenyl]-2,6-diamine](methanesulfonato-κO)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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