triphenyl(pyridin-2-ylmethyl)phosphanium

C24H21NP+ — CID 4691582

IUPACtriphenyl(pyridin-2-ylmethyl)phosphanium
SMILESc1ccc([P+](Cc2ccccn2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H21NP/c1-4-13-22(14-5-1)26(23-15-6-2-7-16-23,24-17-8-3-9-18-24)20-21-12-10-11-19-25-21/h1-19H,20H2/q+1
InChIKeyKAYCSCULGYYNFT-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.58
Rot. Bonds5

About triphenyl(pyridin-2-ylmethyl)phosphanium

triphenyl(pyridin-2-ylmethyl)phosphanium (PubChem CID 4691582) has the molecular formula C24H21NP+ and a molecular weight of 354.41 g/mol. Its IUPAC name is triphenyl(pyridin-2-ylmethyl)phosphanium.

Molecular Properties

Compound Nametriphenyl(pyridin-2-ylmethyl)phosphanium
PubChem CID4691582
Molecular FormulaC24H21NP+
Molecular Weight354.41 g/mol
Exact Mass354.14
IUPAC Nametriphenyl(pyridin-2-ylmethyl)phosphanium
SMILESc1ccc([P+](Cc2ccccn2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H21NP/c1-4-13-22(14-5-1)26(23-15-6-2-7-16-23,24-17-8-3-9-18-24)20-21-12-10-11-19-25-21/h1-19H,20H2/q+1
InChIKeyKAYCSCULGYYNFT-UHFFFAOYSA-N
XLogP4.58
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.58
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-2-ylmethyl)phosphanium?
The IUPAC name of triphenyl(pyridin-2-ylmethyl)phosphanium (CID 4691582) is triphenyl(pyridin-2-ylmethyl)phosphanium.
What is the SMILES notation for triphenyl(pyridin-2-ylmethyl)phosphanium?
The canonical SMILES for triphenyl(pyridin-2-ylmethyl)phosphanium is c1ccc([P+](Cc2ccccn2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of triphenyl(pyridin-2-ylmethyl)phosphanium?
The InChIKey is KAYCSCULGYYNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NP/c1-4-13-22(14-5-1)26(23-15-6-2-7-16-23,24-17-8-3-9-18-24)20-21-12-10-11-19-25-21/h1-19H,20H2/q+1.
What are the key properties of triphenyl(pyridin-2-ylmethyl)phosphanium?
triphenyl(pyridin-2-ylmethyl)phosphanium has a molecular weight of 354.41 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl(pyridin-2-ylmethyl)phosphanium is sourced from PubChem (CID 4691582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).