triphenyl(pyridin-4-ylmethyl)phosphanium chloride

C24H21ClNP — CID 11784096

IUPACtriphenyl(pyridin-4-ylmethyl)phosphanium chloride
SMILES[Cl-].c1ccc([P+](Cc2ccncc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H21NP.ClH/c1-4-10-22(11-5-1)26(23-12-6-2-7-13-23,24-14-8-3-9-15-24)20-21-16-18-25-19-17-21;/h1-19H,20H2;1H/q+1;/p-1
InChIKeyUGDYRTOUNGDPDN-UHFFFAOYSA-M
MW389.87 g/mol
LogP1.58
Rot. Bonds5

About triphenyl(pyridin-4-ylmethyl)phosphanium chloride

triphenyl(pyridin-4-ylmethyl)phosphanium chloride (PubChem CID 11784096) has the molecular formula C24H21ClNP and a molecular weight of 389.87 g/mol. Its IUPAC name is triphenyl(pyridin-4-ylmethyl)phosphanium chloride.

Molecular Properties

Compound Nametriphenyl(pyridin-4-ylmethyl)phosphanium chloride
PubChem CID11784096
Molecular FormulaC24H21ClNP
Molecular Weight389.87 g/mol
Exact Mass389.11
IUPAC Nametriphenyl(pyridin-4-ylmethyl)phosphanium chloride
SMILES[Cl-].c1ccc([P+](Cc2ccncc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H21NP.ClH/c1-4-10-22(11-5-1)26(23-12-6-2-7-13-23,24-14-8-3-9-15-24)20-21-16-18-25-19-17-21;/h1-19H,20H2;1H/q+1;/p-1
InChIKeyUGDYRTOUNGDPDN-UHFFFAOYSA-M
XLogP1.58
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.87
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze triphenyl(pyridin-4-ylmethyl)phosphanium chloride 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 triphenyl(pyridin-4-ylmethyl)phosphanium chloride?
The IUPAC name of triphenyl(pyridin-4-ylmethyl)phosphanium chloride (CID 11784096) is triphenyl(pyridin-4-ylmethyl)phosphanium chloride.
What is the SMILES notation for triphenyl(pyridin-4-ylmethyl)phosphanium chloride?
The canonical SMILES for triphenyl(pyridin-4-ylmethyl)phosphanium chloride is [Cl-].c1ccc([P+](Cc2ccncc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of triphenyl(pyridin-4-ylmethyl)phosphanium chloride?
The InChIKey is UGDYRTOUNGDPDN-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H21NP.ClH/c1-4-10-22(11-5-1)26(23-12-6-2-7-13-23,24-14-8-3-9-15-24)20-21-16-18-25-19-17-21;/h1-19H,20H2;1H/q+1;/p-1.
What are the key properties of triphenyl(pyridin-4-ylmethyl)phosphanium chloride?
triphenyl(pyridin-4-ylmethyl)phosphanium chloride has a molecular weight of 389.87 g/mol, XLogP of 1.58, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl(pyridin-4-ylmethyl)phosphanium chloride is sourced from PubChem (CID 11784096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).