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Dichloro[1,3-bis(2,6-diisopropylphenyl)-1,3-dihydro-2H-imidazol-2-ylidene]palladium(II) dimer

Dichloro[1,3-bis(2,6-diisopropylphenyl)-1,3-dihydro-2H-imidazol-2-ylidene]palladium(II) dimer

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Molecular Formula:

C54H72Cl4N4Pd2

Molecular Weight:

1131.83

CAS Number:

444910-17-2

Catalog Number:

444910-17-2

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

Canonical 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

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

1132.25553 g/mol

Monoisotopic Mass

1128.25807 g/mol

Topological Polar Surface Area

12.5Å²

Heavy Atom Count

Formal Charge

Complexity

535

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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Dichloro[1,3-bis(2,6-diisopropylphenyl)-1,3-dihydro-2H-imidazol-2-ylidene]palladium(II) dimer

Product Information

Safety Information

Computed Properties

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