triphenyl-[3-[2-(pyridine-3-carbonyloxy)ethoxy]propyl]phosphanium

C29H29NO3P+ — CID 169012695

IUPACtriphenyl-[3-[2-(pyridine-3-carbonyloxy)ethoxy]propyl]phosphanium
SMILESO=C(OCCOCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1cccnc1
InChIInChI=1S/C29H29NO3P/c31-29(25-12-10-19-30-24-25)33-22-21-32-20-11-23-34(26-13-4-1-5-14-26,27-15-6-2-7-16-27)28-17-8-3-9-18-28/h1-10,12-19,24H,11,20-23H2/q+1
InChIKeySFDDDOBNXBGSKU-UHFFFAOYSA-N
MW470.53 g/mol
LogP4.64
Rot. Bonds11

About triphenyl-[3-[2-(pyridine-3-carbonyloxy)ethoxy]propyl]phosphanium

triphenyl-[3-[2-(pyridine-3-carbonyloxy)ethoxy]propyl]phosphanium (PubChem CID 169012695) has the molecular formula C29H29NO3P+ and a molecular weight of 470.53 g/mol. Its IUPAC name is triphenyl-[3-[2-(pyridine-3-carbonyloxy)ethoxy]propyl]phosphanium.

Molecular Properties

Compound Nametriphenyl-[3-[2-(pyridine-3-carbonyloxy)ethoxy]propyl]phosphanium
PubChem CID169012695
Molecular FormulaC29H29NO3P+
Molecular Weight470.53 g/mol
Exact Mass470.19
IUPAC Nametriphenyl-[3-[2-(pyridine-3-carbonyloxy)ethoxy]propyl]phosphanium
SMILESO=C(OCCOCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1cccnc1
InChIInChI=1S/C29H29NO3P/c31-29(25-12-10-19-30-24-25)33-22-21-32-20-11-23-34(26-13-4-1-5-14-26,27-15-6-2-7-16-27)28-17-8-3-9-18-28/h1-10,12-19,24H,11,20-23H2/q+1
InChIKeySFDDDOBNXBGSKU-UHFFFAOYSA-N
XLogP4.64
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze triphenyl-[3-[2-(pyridine-3-carbonyloxy)ethoxy]propyl]phosphanium 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

3-benzoyloxypropyl(triphenyl)phosphanium;hydrobromide
CID 126958911
triphenyl-[5-(pyridine-3-carbonylamino)pentyl]phosphanium
CID 169012759
4-O-[2-[2-[4-[2-(2-benzoyloxyethoxy)ethoxycarbonyl]benzoyl]oxyethoxy]ethyl] 1-O-[2-(2-benzoyloxyethoxy)ethyl] benzene-1,4-dicarboxylate
CID 140775002
bis(dichlororuthenium);bis(1-methyl-4-propan-2-ylbenzene);2-[2-[2-[2-(pyridine-3-carbonyloxy)ethoxy]ethoxy]ethoxy]ethyl pyridine-3-carboxylate
CID 139240843
3-(dimethylamino)propyl pyridine-3-carboxylate
CID 141402583
heptyl pyridine-3-carboxylate
CID 531638
2-aminoethyl pyridine-3-carboxylate;2,2,2-trifluoroacetic acid
CID 174924266
benzoic acid;2-(2-benzoyloxyethoxy)ethyl benzoate
CID 162019063
2-(3-methylbutoxy)ethyl benzoate
CID 140608731
(2-hydroxy-3-phenoxypropyl) pyridine-3-carboxylate
CID 11414636
ethyl pyridine-3-carboxylate;dihydrochloride
CID 141150900
[4-(pyridine-3-carbonyloxymethyl)phenyl]methyl pyridine-3-carboxylate
CID 9413213

Frequently Asked Questions

What is the IUPAC name of triphenyl-[3-[2-(pyridine-3-carbonyloxy)ethoxy]propyl]phosphanium?
The IUPAC name of triphenyl-[3-[2-(pyridine-3-carbonyloxy)ethoxy]propyl]phosphanium (CID 169012695) is triphenyl-[3-[2-(pyridine-3-carbonyloxy)ethoxy]propyl]phosphanium.
What is the SMILES notation for triphenyl-[3-[2-(pyridine-3-carbonyloxy)ethoxy]propyl]phosphanium?
The canonical SMILES for triphenyl-[3-[2-(pyridine-3-carbonyloxy)ethoxy]propyl]phosphanium is O=C(OCCOCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1cccnc1.
What is the InChIKey of triphenyl-[3-[2-(pyridine-3-carbonyloxy)ethoxy]propyl]phosphanium?
The InChIKey is SFDDDOBNXBGSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29NO3P/c31-29(25-12-10-19-30-24-25)33-22-21-32-20-11-23-34(26-13-4-1-5-14-26,27-15-6-2-7-16-27)28-17-8-3-9-18-28/h1-10,12-19,24H,11,20-23H2/q+1.
What are the key properties of triphenyl-[3-[2-(pyridine-3-carbonyloxy)ethoxy]propyl]phosphanium?
triphenyl-[3-[2-(pyridine-3-carbonyloxy)ethoxy]propyl]phosphanium has a molecular weight of 470.53 g/mol, XLogP of 4.64, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[3-[2-(pyridine-3-carbonyloxy)ethoxy]propyl]phosphanium is sourced from PubChem (CID 169012695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).