triphenyl(pyridin-3-ylmethyl)phosphanium chloride

C24H21ClNP — CID 22325077

IUPACtriphenyl(pyridin-3-ylmethyl)phosphanium chloride
SMILES[Cl-].c1ccc([P+](Cc2cccnc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H21NP.ClH/c1-4-12-22(13-5-1)26(23-14-6-2-7-15-23,24-16-8-3-9-17-24)20-21-11-10-18-25-19-21;/h1-19H,20H2;1H/q+1;/p-1
InChIKeyYFOFTOVBTCVSGV-UHFFFAOYSA-M
MW389.87 g/mol
LogP1.58
Rot. Bonds5

About triphenyl(pyridin-3-ylmethyl)phosphanium chloride

triphenyl(pyridin-3-ylmethyl)phosphanium chloride (PubChem CID 22325077) has the molecular formula C24H21ClNP and a molecular weight of 389.87 g/mol. Its IUPAC name is triphenyl(pyridin-3-ylmethyl)phosphanium chloride.

Molecular Properties

Compound Nametriphenyl(pyridin-3-ylmethyl)phosphanium chloride
PubChem CID22325077
Molecular FormulaC24H21ClNP
Molecular Weight389.87 g/mol
Exact Mass389.11
IUPAC Nametriphenyl(pyridin-3-ylmethyl)phosphanium chloride
SMILES[Cl-].c1ccc([P+](Cc2cccnc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H21NP.ClH/c1-4-12-22(13-5-1)26(23-14-6-2-7-15-23,24-16-8-3-9-17-24)20-21-11-10-18-25-19-21;/h1-19H,20H2;1H/q+1;/p-1
InChIKeyYFOFTOVBTCVSGV-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'}

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Frequently Asked Questions

What is the IUPAC name of triphenyl(pyridin-3-ylmethyl)phosphanium chloride?
The IUPAC name of triphenyl(pyridin-3-ylmethyl)phosphanium chloride (CID 22325077) is triphenyl(pyridin-3-ylmethyl)phosphanium chloride.
What is the SMILES notation for triphenyl(pyridin-3-ylmethyl)phosphanium chloride?
The canonical SMILES for triphenyl(pyridin-3-ylmethyl)phosphanium chloride is [Cl-].c1ccc([P+](Cc2cccnc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of triphenyl(pyridin-3-ylmethyl)phosphanium chloride?
The InChIKey is YFOFTOVBTCVSGV-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H21NP.ClH/c1-4-12-22(13-5-1)26(23-14-6-2-7-15-23,24-16-8-3-9-17-24)20-21-11-10-18-25-19-21;/h1-19H,20H2;1H/q+1;/p-1.
What are the key properties of triphenyl(pyridin-3-ylmethyl)phosphanium chloride?
triphenyl(pyridin-3-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-3-ylmethyl)phosphanium chloride is sourced from PubChem (CID 22325077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).