chloropalladium(1+);methanidylbenzene;bis(triethylphosphane)

C19H37ClP2Pd — CID 135045407

IUPACchloropalladium(1+);methanidylbenzene;bis(triethylphosphane)
SMILESCCP(CC)CC.CCP(CC)CC.Cl[Pd+].[CH2-]c1ccccc1
InChIInChI=1S/C7H7.2C6H15P.ClH.Pd/c1-7-5-3-2-4-6-7;2*1-4-7(5-2)6-3;;/h2-6H,1H2;2*4-6H2,1-3H3;1H;/q-1;;;;+2/p-1
InChIKeyCGIYKUXPNNAJKC-UHFFFAOYSA-M
MW469.33 g/mol
LogP7.61
Rot. Bonds6

About chloropalladium(1+);methanidylbenzene;bis(triethylphosphane)

chloropalladium(1+);methanidylbenzene;bis(triethylphosphane) (PubChem CID 135045407) has the molecular formula C19H37ClP2Pd and a molecular weight of 469.33 g/mol. Its IUPAC name is chloropalladium(1+);methanidylbenzene;bis(triethylphosphane).

Molecular Properties

Compound Namechloropalladium(1+);methanidylbenzene;bis(triethylphosphane)
PubChem CID135045407
Molecular FormulaC19H37ClP2Pd
Molecular Weight469.33 g/mol
Exact Mass468.11
IUPAC Namechloropalladium(1+);methanidylbenzene;bis(triethylphosphane)
SMILESCCP(CC)CC.CCP(CC)CC.Cl[Pd+].[CH2-]c1ccccc1
InChIInChI=1S/C7H7.2C6H15P.ClH.Pd/c1-7-5-3-2-4-6-7;2*1-4-7(5-2)6-3;;/h2-6H,1H2;2*4-6H2,1-3H3;1H;/q-1;;;;+2/p-1
InChIKeyCGIYKUXPNNAJKC-UHFFFAOYSA-M
XLogP7.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.33
LogP ≤ 57.61
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 chloropalladium(1+);methanidylbenzene;bis(triethylphosphane)?
The IUPAC name of chloropalladium(1+);methanidylbenzene;bis(triethylphosphane) (CID 135045407) is chloropalladium(1+);methanidylbenzene;bis(triethylphosphane).
What is the SMILES notation for chloropalladium(1+);methanidylbenzene;bis(triethylphosphane)?
The canonical SMILES for chloropalladium(1+);methanidylbenzene;bis(triethylphosphane) is CCP(CC)CC.CCP(CC)CC.Cl[Pd+].[CH2-]c1ccccc1.
What is the InChIKey of chloropalladium(1+);methanidylbenzene;bis(triethylphosphane)?
The InChIKey is CGIYKUXPNNAJKC-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H7.2C6H15P.ClH.Pd/c1-7-5-3-2-4-6-7;2*1-4-7(5-2)6-3;;/h2-6H,1H2;2*4-6H2,1-3H3;1H;/q-1;;;;+2/p-1.
What are the key properties of chloropalladium(1+);methanidylbenzene;bis(triethylphosphane)?
chloropalladium(1+);methanidylbenzene;bis(triethylphosphane) has a molecular weight of 469.33 g/mol, XLogP of 7.61, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloropalladium(1+);methanidylbenzene;bis(triethylphosphane) is sourced from PubChem (CID 135045407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).