chloropalladium(1+);diphenylphosphanylmethyl(diphenyl)phosphane

C25H21ClP2Pd — CID 87662459

IUPACchloropalladium(1+);diphenylphosphanylmethyl(diphenyl)phosphane
SMILESCl[Pd+].c1ccc(P([CH-]P(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H21P2.ClH.Pd/c1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)21-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25;;/h1-21H;1H;/q-1;;+2/p-1
InChIKeyOWHFHCDNXQZLGG-UHFFFAOYSA-M
MW525.26 g/mol
LogP6.06
Rot. Bonds6

About chloropalladium(1+);diphenylphosphanylmethyl(diphenyl)phosphane

chloropalladium(1+);diphenylphosphanylmethyl(diphenyl)phosphane (PubChem CID 87662459) has the molecular formula C25H21ClP2Pd and a molecular weight of 525.26 g/mol. Its IUPAC name is chloropalladium(1+);diphenylphosphanylmethyl(diphenyl)phosphane.

Molecular Properties

Compound Namechloropalladium(1+);diphenylphosphanylmethyl(diphenyl)phosphane
PubChem CID87662459
Molecular FormulaC25H21ClP2Pd
Molecular Weight525.26 g/mol
Exact Mass523.98
IUPAC Namechloropalladium(1+);diphenylphosphanylmethyl(diphenyl)phosphane
SMILESCl[Pd+].c1ccc(P([CH-]P(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H21P2.ClH.Pd/c1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)21-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25;;/h1-21H;1H;/q-1;;+2/p-1
InChIKeyOWHFHCDNXQZLGG-UHFFFAOYSA-M
XLogP6.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.26
LogP ≤ 56.06
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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Related Compounds

lithium;chromium(3+);bis(diphenylphosphanylmethyl(diphenyl)phosphane);oxolane;dichloride
CID 139107768
triphenylphosphane
CID 139056248
oxomethylideneiron;triphenylphosphane
CID 174701658
chlorogold;triphenylphosphane
CID 10874691
chlorosilver;triphenylphosphane
CID 12824775
dichloropalladium;3-diphenylphosphanylpropyl(diphenyl)phosphane
CID 57485277
tetrachlorostannane;triphenylphosphane
CID 6102135
hypochlorous acid;ruthenium;tris(triphenylphosphane)
CID 160643547
dichloronickel;triphenylphosphane
CID 12533274
(2-diphenylphosphanylphenyl)-diphenylphosphane;titanium
CID 174974517
plutonium;triphenylphosphane
CID 161300359
iron dihydride;tetrakis(triphenylphosphane)
CID 172730134

Frequently Asked Questions

What is the IUPAC name of chloropalladium(1+);diphenylphosphanylmethyl(diphenyl)phosphane?
The IUPAC name of chloropalladium(1+);diphenylphosphanylmethyl(diphenyl)phosphane (CID 87662459) is chloropalladium(1+);diphenylphosphanylmethyl(diphenyl)phosphane.
What is the SMILES notation for chloropalladium(1+);diphenylphosphanylmethyl(diphenyl)phosphane?
The canonical SMILES for chloropalladium(1+);diphenylphosphanylmethyl(diphenyl)phosphane is Cl[Pd+].c1ccc(P([CH-]P(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of chloropalladium(1+);diphenylphosphanylmethyl(diphenyl)phosphane?
The InChIKey is OWHFHCDNXQZLGG-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H21P2.ClH.Pd/c1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)21-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25;;/h1-21H;1H;/q-1;;+2/p-1.
What are the key properties of chloropalladium(1+);diphenylphosphanylmethyl(diphenyl)phosphane?
chloropalladium(1+);diphenylphosphanylmethyl(diphenyl)phosphane has a molecular weight of 525.26 g/mol, XLogP of 6.06, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloropalladium(1+);diphenylphosphanylmethyl(diphenyl)phosphane is sourced from PubChem (CID 87662459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).