CC(C)C1=CC(=C(C(=C1)C(C)C)C2=C(C=CC(=C2P(C3CCCCC3)C4CCCCC4)OC)OC)C(C)C.C1=CC=C([C-]=C1)CCN.Cl[Pd+]
CAS: 1148148-01-9
Name: chloropalladium(1+);dicyclohexyl-[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;2-phenylethanamine
SMILES: CC(C)C1=CC(=C(C(=C1)C(C)C)C2=C(C=CC(=C2P(C3CCCCC3)C4CCCCC4)OC)OC)C(C)C.C1=CC=C([C-]=C1)CCN.Cl[Pd+]

Molecular Processing

Molecular formula
C43H63ClNO2PPd
Molecular weight
798.83
Exact mass
797.332
XLogP
12.19
TPSA
44.48
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
11
Heavy atoms
49
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
3
Fraction Csp3
0.581
Molar refractivity
211.44

Supplementary Information

InChIKey: IWMMXPNBCHCFCY-UHFFFAOYSA-M
Synonyme
BrettPhos Pd G11148148-01-9MFCD12545956BrettPhos precatalystBrett Phos precatalystChloro[2-(dicyclohexylphosphino)-2',4',6'-triisopropyl-3,6-dimethoxybiphenyl][2-(2-aminoethyl)phenyl]palladium(II)SCHEMBL29461593IWMMXPNBCHCFCY-UHFFFAOYSA-MChloro(2-(dicyclohexylphosphino)-3,6-dimethoxy-2',4',6'-triisopropyl-1,1'-biphenyl)(2-(2-aminoethyl)phenyl)palladium (II)Chloro[2-(dicyclohexylphosphino)-2'',4'',6''-triisopropyl-3,6-dimethoxybiphenyl][2-(2-aminoethyl)phenyl]palladium(II)chloro[2-(dicyclohexylphosphino)-3,6-dimethoxy-2'-4'-6'-tri-i-propyl-1,1'-biphenyl][2-(2-aminoeth yl)phenyl]palladium(II)CHLORO[2-(DICYCLOHEXYLPHOSPHINO)-3,6-DIMETHOXY-2'-4'-6'-TRI-I-PROPYL-1,1'-BIPHENYL][2-(2-AMINOETHYL)PHENYL]PALLADIUM(II)
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