triphenyl(prop-2-ynyl)phosphanium bromide

C21H18BrP — CID 2724214

IUPACtriphenyl(prop-2-ynyl)phosphanium bromide
SMILESC#CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C21H18P.BrH/c1-2-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h1,3-17H,18H2;1H/q+1;/p-1
InChIKeyAFZDAWIXETXKRE-UHFFFAOYSA-M
MW381.25 g/mol
LogP0.62
Rot. Bonds4

About triphenyl(prop-2-ynyl)phosphanium bromide

triphenyl(prop-2-ynyl)phosphanium bromide (PubChem CID 2724214) has the molecular formula C21H18BrP and a molecular weight of 381.25 g/mol. Its IUPAC name is triphenyl(prop-2-ynyl)phosphanium bromide.

Molecular Properties

Compound Nametriphenyl(prop-2-ynyl)phosphanium bromide
PubChem CID2724214
Molecular FormulaC21H18BrP
Molecular Weight381.25 g/mol
Exact Mass380.03
IUPAC Nametriphenyl(prop-2-ynyl)phosphanium bromide
SMILESC#CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C21H18P.BrH/c1-2-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h1,3-17H,18H2;1H/q+1;/p-1
InChIKeyAFZDAWIXETXKRE-UHFFFAOYSA-M
XLogP0.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.25
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

triphenyl(4-triphenylphosphaniumylbut-2-ynyl)phosphanium diiodide
CID 71332519
triphenyl(2-triphenylphosphaniumylethyl)phosphanium dibromide
CID 2785215
phosphanium;cyanomethyl(triphenyl)phosphanium;dichloride
CID 86757849
hydroxymethyl(triphenyl)phosphanium bromide
CID 18970177
triphenyl(7-triphenylphosphaniumylheptyl)phosphanium dibromide
CID 19082496
[2-oxo-2-(prop-2-ynylamino)ethyl]-triphenylphosphanium bromide
CID 155926267
palladium;triphenyl(2-triphenylphosphaniumylethyl)phosphanium
CID 87290696
aminomethyl(triphenyl)phosphanium
CID 155040126
2-hydroxyethyl(triphenyl)phosphanium bromide
CID 2733550
4-cyanobutyl(triphenyl)phosphanium bromide
CID 11418829
triphenyl(2-pyrrol-1-ylethyl)phosphanium bromide
CID 88746654
bromoethane;ethyl(triphenyl)phosphanium;bromide
CID 174716559

Frequently Asked Questions

What is the IUPAC name of triphenyl(prop-2-ynyl)phosphanium bromide?
The IUPAC name of triphenyl(prop-2-ynyl)phosphanium bromide (CID 2724214) is triphenyl(prop-2-ynyl)phosphanium bromide.
What is the SMILES notation for triphenyl(prop-2-ynyl)phosphanium bromide?
The canonical SMILES for triphenyl(prop-2-ynyl)phosphanium bromide is C#CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-].
What is the InChIKey of triphenyl(prop-2-ynyl)phosphanium bromide?
The InChIKey is AFZDAWIXETXKRE-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H18P.BrH/c1-2-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h1,3-17H,18H2;1H/q+1;/p-1.
What are the key properties of triphenyl(prop-2-ynyl)phosphanium bromide?
triphenyl(prop-2-ynyl)phosphanium bromide has a molecular weight of 381.25 g/mol, XLogP of 0.62, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl(prop-2-ynyl)phosphanium bromide is sourced from PubChem (CID 2724214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).