diphenyl-propan-2-yl-pyridin-3-ylphosphanium

C20H21NP+ — CID 153484681

IUPACdiphenyl-propan-2-yl-pyridin-3-ylphosphanium
SMILESCC(C)[P+](c1ccccc1)(c1ccccc1)c1cccnc1
InChIInChI=1S/C20H21NP/c1-17(2)22(18-10-5-3-6-11-18,19-12-7-4-8-13-19)20-14-9-15-21-16-20/h3-17H,1-2H3/q+1
InChIKeyDFRGOIFHDKDARI-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.78
Rot. Bonds4

About diphenyl-propan-2-yl-pyridin-3-ylphosphanium

diphenyl-propan-2-yl-pyridin-3-ylphosphanium (PubChem CID 153484681) has the molecular formula C20H21NP+ and a molecular weight of 306.37 g/mol. Its IUPAC name is diphenyl-propan-2-yl-pyridin-3-ylphosphanium.

Molecular Properties

Compound Namediphenyl-propan-2-yl-pyridin-3-ylphosphanium
PubChem CID153484681
Molecular FormulaC20H21NP+
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Namediphenyl-propan-2-yl-pyridin-3-ylphosphanium
SMILESCC(C)[P+](c1ccccc1)(c1ccccc1)c1cccnc1
InChIInChI=1S/C20H21NP/c1-17(2)22(18-10-5-3-6-11-18,19-12-7-4-8-13-19)20-14-9-15-21-16-20/h3-17H,1-2H3/q+1
InChIKeyDFRGOIFHDKDARI-UHFFFAOYSA-N
XLogP3.78
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze diphenyl-propan-2-yl-pyridin-3-ylphosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

triphenyl(propan-2-yl)phosphanium hydroxide
CID 18356098
diphenyl-propan-2-yl-pyridazin-3-ylphosphanium
CID 146520331
methyl-diphenyl-pyridin-4-ylphosphanium
CID 4829632
3-[(1R)-1-phenylethyl]pyridine
CID 13287121
methyl-diphenyl-(2-pyridin-3-ylphenyl)phosphanium chloride
CID 86744861
bis(2-methylpropane);3-pyridin-3-ylpyridine
CID 158581875
1-hydroxyethyl(triphenyl)phosphanium chloride
CID 22164733
phenyl-[1-[1-[phenyl(pyridin-3-yl)phosphanyl]ethoxy]ethyl]-pyridin-3-ylphosphane
CID 87929874
(1S)-1-phenyl-N-[(1S)-1-pyridin-3-ylethyl]ethanamine
CID 11413502
(2R)-3-pyridin-3-ylbutan-2-ol
CID 57231816
dimethyl-phenyl-pyridin-3-ylsilane
CID 24822234
N-methyl-N-[(1S)-1-phenylethyl]pyridin-3-amine
CID 124632027

Frequently Asked Questions

What is the IUPAC name of diphenyl-propan-2-yl-pyridin-3-ylphosphanium?
The IUPAC name of diphenyl-propan-2-yl-pyridin-3-ylphosphanium (CID 153484681) is diphenyl-propan-2-yl-pyridin-3-ylphosphanium.
What is the SMILES notation for diphenyl-propan-2-yl-pyridin-3-ylphosphanium?
The canonical SMILES for diphenyl-propan-2-yl-pyridin-3-ylphosphanium is CC(C)[P+](c1ccccc1)(c1ccccc1)c1cccnc1.
What is the InChIKey of diphenyl-propan-2-yl-pyridin-3-ylphosphanium?
The InChIKey is DFRGOIFHDKDARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NP/c1-17(2)22(18-10-5-3-6-11-18,19-12-7-4-8-13-19)20-14-9-15-21-16-20/h3-17H,1-2H3/q+1.
What are the key properties of diphenyl-propan-2-yl-pyridin-3-ylphosphanium?
diphenyl-propan-2-yl-pyridin-3-ylphosphanium has a molecular weight of 306.37 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-propan-2-yl-pyridin-3-ylphosphanium is sourced from PubChem (CID 153484681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).