(2,6-dimethyl-4-pyridinyl)-triphenylphosphanium

C25H23NP+ — CID 162419624

IUPAC(2,6-dimethyl-4-pyridinyl)-triphenylphosphanium
SMILESCc1cc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc(C)n1
InChIInChI=1S/C25H23NP/c1-20-18-25(19-21(2)26-20)27(22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-19H,1-2H3/q+1
InChIKeyPILRPZFYRDTAOE-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.32
Rot. Bonds4

About (2,6-dimethyl-4-pyridinyl)-triphenylphosphanium

(2,6-dimethyl-4-pyridinyl)-triphenylphosphanium (PubChem CID 162419624) has the molecular formula C25H23NP+ and a molecular weight of 368.44 g/mol. Its IUPAC name is (2,6-dimethyl-4-pyridinyl)-triphenylphosphanium.

Molecular Properties

Compound Name(2,6-dimethyl-4-pyridinyl)-triphenylphosphanium
PubChem CID162419624
Molecular FormulaC25H23NP+
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC Name(2,6-dimethyl-4-pyridinyl)-triphenylphosphanium
SMILESCc1cc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc(C)n1
InChIInChI=1S/C25H23NP/c1-20-18-25(19-21(2)26-20)27(22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-19H,1-2H3/q+1
InChIKeyPILRPZFYRDTAOE-UHFFFAOYSA-N
XLogP4.32
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.32
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 (2,6-dimethyl-4-pyridinyl)-triphenylphosphanium?
The IUPAC name of (2,6-dimethyl-4-pyridinyl)-triphenylphosphanium (CID 162419624) is (2,6-dimethyl-4-pyridinyl)-triphenylphosphanium.
What is the SMILES notation for (2,6-dimethyl-4-pyridinyl)-triphenylphosphanium?
The canonical SMILES for (2,6-dimethyl-4-pyridinyl)-triphenylphosphanium is Cc1cc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc(C)n1.
What is the InChIKey of (2,6-dimethyl-4-pyridinyl)-triphenylphosphanium?
The InChIKey is PILRPZFYRDTAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NP/c1-20-18-25(19-21(2)26-20)27(22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-19H,1-2H3/q+1.
What are the key properties of (2,6-dimethyl-4-pyridinyl)-triphenylphosphanium?
(2,6-dimethyl-4-pyridinyl)-triphenylphosphanium has a molecular weight of 368.44 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethyl-4-pyridinyl)-triphenylphosphanium is sourced from PubChem (CID 162419624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).