carbanide;(4-methylphenyl)-diphenylphosphanium;palladium

C20H21PPd — CID 164850480

IUPACcarbanide;(4-methylphenyl)-diphenylphosphanium;palladium
SMILESCc1ccc([PH+](c2ccccc2)c2ccccc2)cc1.[CH3-].[Pd]
InChIInChI=1S/C19H17P.CH3.Pd/c1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;;/h2-15H,1H3;1H3;/q;-1;/p+1
InChIKeyTZBHPELIRSBETH-UHFFFAOYSA-O
MW398.78 g/mol
LogP3.93
Rot. Bonds3

About carbanide;(4-methylphenyl)-diphenylphosphanium;palladium

carbanide;(4-methylphenyl)-diphenylphosphanium;palladium (PubChem CID 164850480) has the molecular formula C20H21PPd and a molecular weight of 398.78 g/mol. Its IUPAC name is carbanide;(4-methylphenyl)-diphenylphosphanium;palladium.

Molecular Properties

Compound Namecarbanide;(4-methylphenyl)-diphenylphosphanium;palladium
PubChem CID164850480
Molecular FormulaC20H21PPd
Molecular Weight398.78 g/mol
Exact Mass398.04
IUPAC Namecarbanide;(4-methylphenyl)-diphenylphosphanium;palladium
SMILESCc1ccc([PH+](c2ccccc2)c2ccccc2)cc1.[CH3-].[Pd]
InChIInChI=1S/C19H17P.CH3.Pd/c1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;;/h2-15H,1H3;1H3;/q;-1;/p+1
InChIKeyTZBHPELIRSBETH-UHFFFAOYSA-O
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.78
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbanide;(4-methylphenyl)-diphenylphosphanium;palladium?
The IUPAC name of carbanide;(4-methylphenyl)-diphenylphosphanium;palladium (CID 164850480) is carbanide;(4-methylphenyl)-diphenylphosphanium;palladium.
What is the SMILES notation for carbanide;(4-methylphenyl)-diphenylphosphanium;palladium?
The canonical SMILES for carbanide;(4-methylphenyl)-diphenylphosphanium;palladium is Cc1ccc([PH+](c2ccccc2)c2ccccc2)cc1.[CH3-].[Pd].
What is the InChIKey of carbanide;(4-methylphenyl)-diphenylphosphanium;palladium?
The InChIKey is TZBHPELIRSBETH-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H17P.CH3.Pd/c1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;;/h2-15H,1H3;1H3;/q;-1;/p+1.
What are the key properties of carbanide;(4-methylphenyl)-diphenylphosphanium;palladium?
carbanide;(4-methylphenyl)-diphenylphosphanium;palladium has a molecular weight of 398.78 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;(4-methylphenyl)-diphenylphosphanium;palladium is sourced from PubChem (CID 164850480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).