nickel;phenylphosphane;hydrochloride

C36H43ClNi2P6 — CID 88505653

IUPACnickel;phenylphosphane;hydrochloride
SMILESCl.Pc1ccccc1.Pc1ccccc1.Pc1ccccc1.Pc1ccccc1.Pc1ccccc1.Pc1ccccc1.[Ni].[Ni]
InChIInChI=1S/6C6H7P.ClH.2Ni/c6*7-6-4-2-1-3-5-6;;;/h6*1-5H,7H2;1H;;
InChIKeyWQAQTXQERRHNDM-UHFFFAOYSA-N
MW814.42 g/mol
LogP7.54
Rot. Bonds

About nickel;phenylphosphane;hydrochloride

nickel;phenylphosphane;hydrochloride (PubChem CID 88505653) has the molecular formula C36H43ClNi2P6 and a molecular weight of 814.42 g/mol. Its IUPAC name is nickel;phenylphosphane;hydrochloride.

Molecular Properties

Compound Namenickel;phenylphosphane;hydrochloride
PubChem CID88505653
Molecular FormulaC36H43ClNi2P6
Molecular Weight814.42 g/mol
Exact Mass812.02
IUPAC Namenickel;phenylphosphane;hydrochloride
SMILESCl.Pc1ccccc1.Pc1ccccc1.Pc1ccccc1.Pc1ccccc1.Pc1ccccc1.Pc1ccccc1.[Ni].[Ni]
InChIInChI=1S/6C6H7P.ClH.2Ni/c6*7-6-4-2-1-3-5-6;;;/h6*1-5H,7H2;1H;;
InChIKeyWQAQTXQERRHNDM-UHFFFAOYSA-N
XLogP7.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500814.42
LogP ≤ 57.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze nickel;phenylphosphane;hydrochloride 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 nickel;phenylphosphane;hydrochloride?
The IUPAC name of nickel;phenylphosphane;hydrochloride (CID 88505653) is nickel;phenylphosphane;hydrochloride.
What is the SMILES notation for nickel;phenylphosphane;hydrochloride?
The canonical SMILES for nickel;phenylphosphane;hydrochloride is Cl.Pc1ccccc1.Pc1ccccc1.Pc1ccccc1.Pc1ccccc1.Pc1ccccc1.Pc1ccccc1.[Ni].[Ni].
What is the InChIKey of nickel;phenylphosphane;hydrochloride?
The InChIKey is WQAQTXQERRHNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/6C6H7P.ClH.2Ni/c6*7-6-4-2-1-3-5-6;;;/h6*1-5H,7H2;1H;;.
What are the key properties of nickel;phenylphosphane;hydrochloride?
nickel;phenylphosphane;hydrochloride has a molecular weight of 814.42 g/mol, XLogP of 7.54, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for nickel;phenylphosphane;hydrochloride is sourced from PubChem (CID 88505653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).