[4-(2,6-dibenzhydryl-4-methylphenyl)imidazol-2-ylidene]palladium

C36H28N2Pd — CID 175030395

IUPAC[4-(2,6-dibenzhydryl-4-methylphenyl)imidazol-2-ylidene]palladium
SMILESCc1cc(C(c2ccccc2)c2ccccc2)c(C2=NC(=[Pd])N=C2)c(C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C36H28N2.Pd/c1-26-22-31(34(27-14-6-2-7-15-27)28-16-8-3-9-17-28)36(33-24-37-25-38-33)32(23-26)35(29-18-10-4-11-19-29)30-20-12-5-13-21-30;/h2-24,34-35H,1H3;
InChIKeyNFBYWCYIQCYBPV-UHFFFAOYSA-N
MW595.05 g/mol
LogP7.86
Rot. Bonds7

About [4-(2,6-dibenzhydryl-4-methylphenyl)imidazol-2-ylidene]palladium

[4-(2,6-dibenzhydryl-4-methylphenyl)imidazol-2-ylidene]palladium (PubChem CID 175030395) has the molecular formula C36H28N2Pd and a molecular weight of 595.05 g/mol. Its IUPAC name is [4-(2,6-dibenzhydryl-4-methylphenyl)imidazol-2-ylidene]palladium.

Molecular Properties

Compound Name[4-(2,6-dibenzhydryl-4-methylphenyl)imidazol-2-ylidene]palladium
PubChem CID175030395
Molecular FormulaC36H28N2Pd
Molecular Weight595.05 g/mol
Exact Mass594.13
IUPAC Name[4-(2,6-dibenzhydryl-4-methylphenyl)imidazol-2-ylidene]palladium
SMILESCc1cc(C(c2ccccc2)c2ccccc2)c(C2=NC(=[Pd])N=C2)c(C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C36H28N2.Pd/c1-26-22-31(34(27-14-6-2-7-15-27)28-16-8-3-9-17-28)36(33-24-37-25-38-33)32(23-26)35(29-18-10-4-11-19-29)30-20-12-5-13-21-30;/h2-24,34-35H,1H3;
InChIKeyNFBYWCYIQCYBPV-UHFFFAOYSA-N
XLogP7.86
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.05
LogP ≤ 57.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze [4-(2,6-dibenzhydryl-4-methylphenyl)imidazol-2-ylidene]palladium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(2,6-dibenzhydryl-4-methylphenyl)imidazol-2-ylidene]palladium?
The IUPAC name of [4-(2,6-dibenzhydryl-4-methylphenyl)imidazol-2-ylidene]palladium (CID 175030395) is [4-(2,6-dibenzhydryl-4-methylphenyl)imidazol-2-ylidene]palladium.
What is the SMILES notation for [4-(2,6-dibenzhydryl-4-methylphenyl)imidazol-2-ylidene]palladium?
The canonical SMILES for [4-(2,6-dibenzhydryl-4-methylphenyl)imidazol-2-ylidene]palladium is Cc1cc(C(c2ccccc2)c2ccccc2)c(C2=NC(=[Pd])N=C2)c(C(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of [4-(2,6-dibenzhydryl-4-methylphenyl)imidazol-2-ylidene]palladium?
The InChIKey is NFBYWCYIQCYBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28N2.Pd/c1-26-22-31(34(27-14-6-2-7-15-27)28-16-8-3-9-17-28)36(33-24-37-25-38-33)32(23-26)35(29-18-10-4-11-19-29)30-20-12-5-13-21-30;/h2-24,34-35H,1H3;.
What are the key properties of [4-(2,6-dibenzhydryl-4-methylphenyl)imidazol-2-ylidene]palladium?
[4-(2,6-dibenzhydryl-4-methylphenyl)imidazol-2-ylidene]palladium has a molecular weight of 595.05 g/mol, XLogP of 7.86, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,6-dibenzhydryl-4-methylphenyl)imidazol-2-ylidene]palladium is sourced from PubChem (CID 175030395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).