Xphos pd G1

C₄₁H₅₉ClNPPdCAS 1028206-56-5738.77 g/mol

Open in Covalent MOL file

Phosphine Primary amine

Properties

Molecular formula: C₄₁H₅₉ClNPPd
Molar mass: 738.77 g/mol
Exact mass: 737.3108 Da
logP: 12.17Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 9

Identifiers

CAS number

1028206-56-5

SMILES

CC(C)C1=CC(=C(C(=C1)C(C)C)C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C)C.C1=CC=C([C-]=C1)CCN.Cl[Pd+]

InChIKey

NMMPMZWIIQCZBA-UHFFFAOYSA-M

InChI

InChI=1S/C33H49P.C8H10N.ClH.Pd/c1-23(2)26-21-30(24(3)4)33(31(22-26)25(5)6)29-19-13-14-20-32(29)34(27-15-9-7-10-16-27)28-17-11-8-12-18-28;9-7-6-8-4-2-1-3-5-8;;/h13-14,19-25,27-28H,7-12,15-18H2,1-6H3;1-4H,6-7,9H2;1H;/q;-1;;+2/p-1

Weigh it out

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

Work with Xphos pd G1

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

Tbuxphos pd G11142811-12-873 % similar Xphos564483-18-763 % similar Brettphospalladacycle1148148-01-962 % similar (Sp-4-4)-[2-[2-(amino-κN)ethyl]phenyl-κC]chloro[dicyclohexyl(2′,6′-dimethoxy[1,1′-biphenyl]-2-yl)phosphine-κP]palladium1028206-58-755 % similar (Sp-4-4)-[2-[2-(amino-κN)ethyl]phenyl-κC][[2′,6′-bis(1-methylethoxy)[1,1′-biphenyl]-2-yl]dicyclohexylphosphine-κP]chloropalladium1028206-60-155 % similar Dicyclohexyl[3,6-dimethoxy-2′,4′,6′-tris(1-methylethyl)[1,1′-biphenyl]-2-yl]phosphine1070663-78-341 % similar [2′-(Amino-κN)[1,1′-biphenyl]-2-yl-κC][[2′,6′-bis(1-methylethoxy)[1,1′-biphenyl]-2-yl]dicyclohexylphosphine-κP]chloropalladium1375325-68-039 % similar [2′,6′-Bis(1-methylethoxy)[1,1′-biphenyl]-2-yl]dicyclohexylphosphine787618-22-837 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook