Synonyms
1224879-40-6;N,N'-[Bis(2,6-dimethylphenyl)-1,3-dimethyl-1,3-propanediylidene](methyl) (triethylphosphine)palladium(II);MFCD22666041;
IUPAC Name
carbanide;(2,6-dimethylphenyl)-[(Z)-4-(2,6-dimethylphenyl)iminopent-2-en-2-yl]azanide;palladium(2+);triethylphosphanium;
Molecular Weight
546.068g/mol
Molecular Formula
C28H44N2PPd+;
Canonical SMILES
[CH3-].CC[PH+](CC)CC.CC1=C(C(=CC=C1)C)[N-]C(=CC(=NC2=C(C=CC=C2C)C)C)C.[Pd+2];
InChI
InChI=1S/C21H25N2.C6H15P.CH3.Pd/c1-14-9-7-10-15(2)20(14)22-18(5)13-19(6)23-21-16(3)11-8-12-17(21)4;1-4-7(5-2)6-3;;/h7-13H,1-6H3;4-6H2,1-3H3;1H3;/q-1;;-1;+2/p+1/b18-13-,23-19 ;;;;
InChI Key
LGILTSMAGYHMAE-UTFJRSOJSA-O;
Complexity
465
Covalently-Bonded Unit Count
4
Defined Bond Stereocenter Count
1
Exact Mass
545.228g/mol
Formal Charge
1
H-Bond Acceptor
3
Heavy Atom Count
32
Monoisotopic Mass
545.228g/mol
Rotatable Bond Count
5
Topological Polar Surface Area
13.4A^2
