[2′-(Amino-κN)[1,1′-biphenyl]-2-yl-κC](methanesulfonato-κO)[tris(1,1-dimethylethyl)phosphine]palladium

C₂₅H₄₀NO₃PPdSCAS 1445086-17-8572.05 g/mol

Open in Covalent MOL file

Primary Amine Sulfone

Properties

Molecular formula: C₂₅H₄₀NO₃PPdS
Molar mass: 572.05 g/mol
Exact mass: 571.1501 Da
logP: 6.76Crippen estimate
Polar surface area: 83.2 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1

Identifiers

CAS number

1445086-17-8

SMILES

CC(C)(C)P(C(C)(C)C)C(C)(C)C.CS(=O)(=O)[O-].Nc1ccccc1-c1[c-]cccc1.[Pd+2]

InChIKey

MYYNIPTXBLEHRI-UHFFFAOYSA-M

InChI

InChI=1S/C12H10N.C12H27P.CH4O3S.Pd/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-10(2,3)13(11(4,5)6)12(7,8)9;1-5(2,3)4;/h1-6,8-9H,13H2;1-9H3;1H3,(H,2,3,4);/q-1;;;+2/p-1

Weigh it out

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

Names and synonyms

2 names

Palladium, [2′-(amino-κN)[1,1′-biphenyl]-2-yl-κC](methanesulfonato-κO)[tris(1,1-dimethylethyl)phosphine]-
P(tert-Butyl)3 Pd G3

Work with [2′-(Amino-κN)[1,1′-biphenyl]-2-yl-κC](methanesulfonato-κO)[tris(1,1-dimethylethyl)phosphine]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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