3-[diphenylphosphoryl(phenyl)methyl]pyridine

C24H20NOP — CID 71520576

IUPAC3-[diphenylphosphoryl(phenyl)methyl]pyridine
SMILESO=P(c1ccccc1)(c1ccccc1)C(c1ccccc1)c1cccnc1
InChIInChI=1S/C24H20NOP/c26-27(22-14-6-2-7-15-22,23-16-8-3-9-17-23)24(20-11-4-1-5-12-20)21-13-10-18-25-19-21/h1-19,24H
InChIKeyQWDDTOMERKJRQK-UHFFFAOYSA-N
MW369.40 g/mol
LogP5.19
Rot. Bonds5

About 3-[diphenylphosphoryl(phenyl)methyl]pyridine

3-[diphenylphosphoryl(phenyl)methyl]pyridine (PubChem CID 71520576) has the molecular formula C24H20NOP and a molecular weight of 369.40 g/mol. Its IUPAC name is 3-[diphenylphosphoryl(phenyl)methyl]pyridine.

Molecular Properties

Compound Name3-[diphenylphosphoryl(phenyl)methyl]pyridine
PubChem CID71520576
Molecular FormulaC24H20NOP
Molecular Weight369.40 g/mol
Exact Mass369.13
IUPAC Name3-[diphenylphosphoryl(phenyl)methyl]pyridine
SMILESO=P(c1ccccc1)(c1ccccc1)C(c1ccccc1)c1cccnc1
InChIInChI=1S/C24H20NOP/c26-27(22-14-6-2-7-15-22,23-16-8-3-9-17-23)24(20-11-4-1-5-12-20)21-13-10-18-25-19-21/h1-19,24H
InChIKeyQWDDTOMERKJRQK-UHFFFAOYSA-N
XLogP5.19
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.40
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[diphenylphosphoryl(phenyl)methyl]pyridine?
The IUPAC name of 3-[diphenylphosphoryl(phenyl)methyl]pyridine (CID 71520576) is 3-[diphenylphosphoryl(phenyl)methyl]pyridine.
What is the SMILES notation for 3-[diphenylphosphoryl(phenyl)methyl]pyridine?
The canonical SMILES for 3-[diphenylphosphoryl(phenyl)methyl]pyridine is O=P(c1ccccc1)(c1ccccc1)C(c1ccccc1)c1cccnc1.
What is the InChIKey of 3-[diphenylphosphoryl(phenyl)methyl]pyridine?
The InChIKey is QWDDTOMERKJRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20NOP/c26-27(22-14-6-2-7-15-22,23-16-8-3-9-17-23)24(20-11-4-1-5-12-20)21-13-10-18-25-19-21/h1-19,24H.
What are the key properties of 3-[diphenylphosphoryl(phenyl)methyl]pyridine?
3-[diphenylphosphoryl(phenyl)methyl]pyridine has a molecular weight of 369.40 g/mol, XLogP of 5.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[diphenylphosphoryl(phenyl)methyl]pyridine is sourced from PubChem (CID 71520576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).