[2′-(Amino-κN)[1,1′-biphenyl]-2-yl-κC][2′-[bis(1,1-dimethylethyl)phosphino-κP]-N,N-dimethyl[1,1′-biphenyl]-2-amine](methanesulfonato-κO)palladium

C₃₅H₄₅N₂O₃PPdSCAS 1445085-92-6711.21 g/mol

Open in Covalent MOL file

Primary Amine Sulfone Tertiary Amine

Properties

Molecular formula: C₃₅H₄₅N₂O₃PPdS
Molar mass: 711.21 g/mol
Exact mass: 710.1923 Da
logP: 8.02Crippen estimate
Polar surface area: 86.5 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 4

Identifiers

CAS number

1445085-92-6

SMILES

CN(C)c1ccccc1-c1ccccc1P(C(C)(C)C)C(C)(C)C.CS(=O)(=O)[O-].Nc1ccccc1-c1[c-]cccc1.[Pd+2]

InChIKey

RGTUYPAURBKPFN-UHFFFAOYSA-M

InChI

InChI=1S/C22H32NP.C12H10N.CH4O3S.Pd/c1-21(2,3)24(22(4,5)6)20-16-12-10-14-18(20)17-13-9-11-15-19(17)23(7)8;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-5(2,3)4;/h9-16H,1-8H3;1-6,8-9H,13H2;1H3,(H,2,3,4);/q;-1;;+2/p-1

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Names and synonyms

1 names

Palladium, [2′-(amino-κN)[1,1′-biphenyl]-2-yl-κC][2′-[bis(1,1-dimethylethyl)phosphino-κP]-N,N-dimethyl[1,1′-biphenyl]-2-amine](methanesulfonato-κO)-

Work with [2′-(Amino-κN)[1,1′-biphenyl]-2-yl-κC][2′-[bis(1,1-dimethylethyl)phosphino-κP]-N,N-dimethyl[1,1′-biphenyl]-2-amine](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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