carbanide;chloropalladium(1+);tricyclopentylphosphane

C16H30ClPPd — CID 175000126

IUPACcarbanide;chloropalladium(1+);tricyclopentylphosphane
SMILESC1CCC(P(C2CCCC2)C2CCCC2)C1.Cl[Pd+].[CH3-]
InChIInChI=1S/C15H27P.CH3.ClH.Pd/c1-2-8-13(7-1)16(14-9-3-4-10-14)15-11-5-6-12-15;;;/h13-15H,1-12H2;1H3;1H;/q;-1;;+2/p-1
InChIKeyQLWDZUXIOGHLOD-UHFFFAOYSA-M
MW395.26 g/mol
LogP6.43
Rot. Bonds3

About carbanide;chloropalladium(1+);tricyclopentylphosphane

carbanide;chloropalladium(1+);tricyclopentylphosphane (PubChem CID 175000126) has the molecular formula C16H30ClPPd and a molecular weight of 395.26 g/mol. Its IUPAC name is carbanide;chloropalladium(1+);tricyclopentylphosphane.

Molecular Properties

Compound Namecarbanide;chloropalladium(1+);tricyclopentylphosphane
PubChem CID175000126
Molecular FormulaC16H30ClPPd
Molecular Weight395.26 g/mol
Exact Mass394.08
IUPAC Namecarbanide;chloropalladium(1+);tricyclopentylphosphane
SMILESC1CCC(P(C2CCCC2)C2CCCC2)C1.Cl[Pd+].[CH3-]
InChIInChI=1S/C15H27P.CH3.ClH.Pd/c1-2-8-13(7-1)16(14-9-3-4-10-14)15-11-5-6-12-15;;;/h13-15H,1-12H2;1H3;1H;/q;-1;;+2/p-1
InChIKeyQLWDZUXIOGHLOD-UHFFFAOYSA-M
XLogP6.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.26
LogP ≤ 56.43
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'}

Analyze carbanide;chloropalladium(1+);tricyclopentylphosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of carbanide;chloropalladium(1+);tricyclopentylphosphane?
The IUPAC name of carbanide;chloropalladium(1+);tricyclopentylphosphane (CID 175000126) is carbanide;chloropalladium(1+);tricyclopentylphosphane.
What is the SMILES notation for carbanide;chloropalladium(1+);tricyclopentylphosphane?
The canonical SMILES for carbanide;chloropalladium(1+);tricyclopentylphosphane is C1CCC(P(C2CCCC2)C2CCCC2)C1.Cl[Pd+].[CH3-].
What is the InChIKey of carbanide;chloropalladium(1+);tricyclopentylphosphane?
The InChIKey is QLWDZUXIOGHLOD-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H27P.CH3.ClH.Pd/c1-2-8-13(7-1)16(14-9-3-4-10-14)15-11-5-6-12-15;;;/h13-15H,1-12H2;1H3;1H;/q;-1;;+2/p-1.
What are the key properties of carbanide;chloropalladium(1+);tricyclopentylphosphane?
carbanide;chloropalladium(1+);tricyclopentylphosphane has a molecular weight of 395.26 g/mol, XLogP of 6.43, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;chloropalladium(1+);tricyclopentylphosphane is sourced from PubChem (CID 175000126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).