chloropalladium(1+);diphenyl-[3-(pyrazol-1-ylmethyl)benzene-2-id-1-yl]oxyphosphane

C22H18ClN2OPPd — CID 24745198

IUPACchloropalladium(1+);diphenyl-[3-(pyrazol-1-ylmethyl)benzene-2-id-1-yl]oxyphosphane
SMILESCl[Pd+].[c-]1c(Cn2cccn2)cccc1OP(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H18N2OP.ClH.Pd/c1-3-11-21(12-4-1)26(22-13-5-2-6-14-22)25-20-10-7-9-19(17-20)18-24-16-8-15-23-24;;/h1-16H,18H2;1H;/q-1;;+2/p-1
InChIKeyHVPSWBOXLLBEFW-UHFFFAOYSA-M
MW499.25 g/mol
LogP4.85
Rot. Bonds6

About chloropalladium(1+);diphenyl-[3-(pyrazol-1-ylmethyl)benzene-2-id-1-yl]oxyphosphane

chloropalladium(1+);diphenyl-[3-(pyrazol-1-ylmethyl)benzene-2-id-1-yl]oxyphosphane (PubChem CID 24745198) has the molecular formula C22H18ClN2OPPd and a molecular weight of 499.25 g/mol. Its IUPAC name is chloropalladium(1+);diphenyl-[3-(pyrazol-1-ylmethyl)benzene-2-id-1-yl]oxyphosphane.

Molecular Properties

Compound Namechloropalladium(1+);diphenyl-[3-(pyrazol-1-ylmethyl)benzene-2-id-1-yl]oxyphosphane
PubChem CID24745198
Molecular FormulaC22H18ClN2OPPd
Molecular Weight499.25 g/mol
Exact Mass497.99
IUPAC Namechloropalladium(1+);diphenyl-[3-(pyrazol-1-ylmethyl)benzene-2-id-1-yl]oxyphosphane
SMILESCl[Pd+].[c-]1c(Cn2cccn2)cccc1OP(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H18N2OP.ClH.Pd/c1-3-11-21(12-4-1)26(22-13-5-2-6-14-22)25-20-10-7-9-19(17-20)18-24-16-8-15-23-24;;/h1-16H,18H2;1H;/q-1;;+2/p-1
InChIKeyHVPSWBOXLLBEFW-UHFFFAOYSA-M
XLogP4.85
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.25
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 chloropalladium(1+);diphenyl-[3-(pyrazol-1-ylmethyl)benzene-2-id-1-yl]oxyphosphane?
The IUPAC name of chloropalladium(1+);diphenyl-[3-(pyrazol-1-ylmethyl)benzene-2-id-1-yl]oxyphosphane (CID 24745198) is chloropalladium(1+);diphenyl-[3-(pyrazol-1-ylmethyl)benzene-2-id-1-yl]oxyphosphane.
What is the SMILES notation for chloropalladium(1+);diphenyl-[3-(pyrazol-1-ylmethyl)benzene-2-id-1-yl]oxyphosphane?
The canonical SMILES for chloropalladium(1+);diphenyl-[3-(pyrazol-1-ylmethyl)benzene-2-id-1-yl]oxyphosphane is Cl[Pd+].[c-]1c(Cn2cccn2)cccc1OP(c1ccccc1)c1ccccc1.
What is the InChIKey of chloropalladium(1+);diphenyl-[3-(pyrazol-1-ylmethyl)benzene-2-id-1-yl]oxyphosphane?
The InChIKey is HVPSWBOXLLBEFW-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H18N2OP.ClH.Pd/c1-3-11-21(12-4-1)26(22-13-5-2-6-14-22)25-20-10-7-9-19(17-20)18-24-16-8-15-23-24;;/h1-16H,18H2;1H;/q-1;;+2/p-1.
What are the key properties of chloropalladium(1+);diphenyl-[3-(pyrazol-1-ylmethyl)benzene-2-id-1-yl]oxyphosphane?
chloropalladium(1+);diphenyl-[3-(pyrazol-1-ylmethyl)benzene-2-id-1-yl]oxyphosphane has a molecular weight of 499.25 g/mol, XLogP of 4.85, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloropalladium(1+);diphenyl-[3-(pyrazol-1-ylmethyl)benzene-2-id-1-yl]oxyphosphane is sourced from PubChem (CID 24745198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).