Dichloro[1,3-bis(2,6-diisopropylphenyl)-1,3-dihydro-2H-imidazol-2-ylidene]palladium(II) dimer
Product Information
Molecular Formula
C54H72Cl4N4Pd2
Molecular Weight
1131.83
Description
Dichloro[1,3-bis(2,6-diisopropylphenyl)-1,3-dihydro-2H-imidazol-2-ylidene]palladium(II) dimer is an extensively employed compound in the biomedical sector. It showcases its efficacy in fostering innovative therapeutics targeting a diverse range of ailments such as cancer, inflammation, and microbial infections. This extraordinary chemical entity plays an indispensable role in the drug discovery and development.
Synonyms
CX 41, Dichloro[1,3-bis(diisopropylphenyl)-2-imidazolidinylidene]palladium(II) dimer, [(SIPr)PdCl2]2
IUPAC Name
1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-idedichloropalladium
SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)N2C=C[N+](=[C-]2)C3=C(C=CC=C3C(C)C)C(C)C.CC(C)C1=C(C(=CC=C1)C(C)C)N2C=C[N+](=[C-]2)C3=C(C=CC=C3C(C)C)C(C)C.Cl[Pd]Cl.Cl[Pd]Cl
InChI
InChI=1S/2C27H36N2.4ClH.2Pd/c2*1-18(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/h2*9-16,18-21H,1-8H34*1H/q2*+2/p-4
InChI Key
TXCXGICCIUAGJY-UHFFFAOYSA-J
Melting Point
331 °C
Flash Point
Not applicable
Storage
2-8°C
Safety Information
Hazards
H315 - H319 - H335
Precautionary Statement
P302 + P352 - P305 + P351 + P338
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
12
Exact Mass
1132.25553 g/mol
Monoisotopic Mass
1128.25807 g/mol
Topological Polar Surface Area
12.5Ų
Heavy Atom Count
64
Formal Charge
0
Complexity
535
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
4
Compound Is Canonicalized
Yes
