[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'}

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Related Compounds

2,6-dibenzhydryl-N-(2,6-dibenzhydryl-4-methylphenyl)-4-methyl-N-trimethylsilylaniline
CID 102191993
1-[(3,5-dimethylphenyl)-phenylmethyl]-3,5-dimethylbenzene;ethane
CID 145412167
2,6-dibenzhydryl-4-methyl-N-trichlorosilyl-N-trimethylsilylaniline
CID 139157119
2,4-dimethyl-1-[(4-methylphenyl)-phenylmethyl]benzene
CID 22389703
lithium benzhydrylbenzene
CID 18381038
azane;benzhydrylbenzene
CID 70581647
2-[[2-hydroxy-3-[(2-hydroxy-5-methylphenyl)-phenylmethyl]-5-methylphenyl]-phenylmethyl]-6-[(2-hydroxy-5-methylphenyl)-phenylmethyl]-4-methylphenol
CID 23156103
2-[(2,6-dibenzhydryl-4-methylphenyl)methyl]naphthalene-1,4-dione
CID 160558547
4-methyl-2,6-bis(1-phenylethyl)aniline;4-methyl-2,6-bis[(1R)-1-phenylethyl]aniline
CID 162252807
1-(2,6-dibenzhydryl-4-methoxyphenyl)-3-(2,6-dibenzhydryl-4-methylphenyl)-2H-imidazole
CID 158181373
(S)-(2-amino-3,5-dimethylphenyl)-phenylmethanol
CID 799505
difluoro-[4-[(4-methylphenyl)-phenylmethyl]phenyl]borane
CID 174243886

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).