triphenyl(pyridin-4-ylmethyl)phosphanium;iodide;hydrochloride

C24H22ClINP — CID 86741343

IUPACtriphenyl(pyridin-4-ylmethyl)phosphanium;iodide;hydrochloride
SMILESCl.[I-].c1ccc([P+](Cc2ccncc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H21NP.ClH.HI/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;2*1H/q+1;;/p-1
InChIKeyRFTFTEYFZPNZIL-UHFFFAOYSA-M
MW517.78 g/mol
LogP2.00
Rot. Bonds5

About triphenyl(pyridin-4-ylmethyl)phosphanium;iodide;hydrochloride

triphenyl(pyridin-4-ylmethyl)phosphanium;iodide;hydrochloride (PubChem CID 86741343) has the molecular formula C24H22ClINP and a molecular weight of 517.78 g/mol. Its IUPAC name is triphenyl(pyridin-4-ylmethyl)phosphanium;iodide;hydrochloride.

Molecular Properties

Compound Nametriphenyl(pyridin-4-ylmethyl)phosphanium;iodide;hydrochloride
PubChem CID86741343
Molecular FormulaC24H22ClINP
Molecular Weight517.78 g/mol
Exact Mass517.02
IUPAC Nametriphenyl(pyridin-4-ylmethyl)phosphanium;iodide;hydrochloride
SMILESCl.[I-].c1ccc([P+](Cc2ccncc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H21NP.ClH.HI/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;2*1H/q+1;;/p-1
InChIKeyRFTFTEYFZPNZIL-UHFFFAOYSA-M
XLogP2.00
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.78
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triphenyl(pyridin-4-ylmethyl)phosphanium;iodide;hydrochloride?
The IUPAC name of triphenyl(pyridin-4-ylmethyl)phosphanium;iodide;hydrochloride (CID 86741343) is triphenyl(pyridin-4-ylmethyl)phosphanium;iodide;hydrochloride.
What is the SMILES notation for triphenyl(pyridin-4-ylmethyl)phosphanium;iodide;hydrochloride?
The canonical SMILES for triphenyl(pyridin-4-ylmethyl)phosphanium;iodide;hydrochloride is Cl.[I-].c1ccc([P+](Cc2ccncc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of triphenyl(pyridin-4-ylmethyl)phosphanium;iodide;hydrochloride?
The InChIKey is RFTFTEYFZPNZIL-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H21NP.ClH.HI/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;2*1H/q+1;;/p-1.
What are the key properties of triphenyl(pyridin-4-ylmethyl)phosphanium;iodide;hydrochloride?
triphenyl(pyridin-4-ylmethyl)phosphanium;iodide;hydrochloride has a molecular weight of 517.78 g/mol, XLogP of 2.00, 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;iodide;hydrochloride is sourced from PubChem (CID 86741343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).