[1,3-Bis[2,6-bis(1-methylethyl)phenyl]-1,3-dihydro-2H-imidazol-2-ylidene]chloro(η3-2-propen-1-yl)palladium

C₃₀H₄₁ClN₂PdCAS 478980-03-9571.54 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₃₀H₄₁ClN₂Pd
Molar mass: 571.54 g/mol
Exact mass: 570.1993 Da
logP: 5.76Crippen estimate
Polar surface area: 6.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 6

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

478980-03-9

SMILES

[Cl-][Pd+4]12(=[C-2]3N(C=CN3C=4C(=CC=CC4C(C)C)C(C)C)C=5C(=CC=CC5C(C)C)C(C)C)[CH2]=[CH]2[CH2-]1

InChIKey

VUOXSJNXSXOIMG-UHFFFAOYSA-M

InChI

InChI=1S/C27H36N2.C3H5.ClH.Pd/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;1-3-2;;/h9-16,18-21H,1-8H3;3H,1-2H2;1H;/q-2;-1;;+4/p-1

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Names and synonyms

3 names

Palladium, [1,3-bis[2,6-bis(1-methylethyl)phenyl]-1,3-dihydro-2H-imidazol-2-ylidene]chloro(η3-2-propen-1-yl)-
Palladium, [1,3-bis[2,6-bis(1-methylethyl)phenyl]-1,3-dihydro-2H-imidazol-2-ylidene]chloro(η3-2-propenyl)-
Umicore CX21

Work with [1,3-Bis[2,6-bis(1-methylethyl)phenyl]-1,3-dihydro-2H-imidazol-2-ylidene]chloro(η3-2-propen-1-yl)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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