triphenyl(2-phenylethynyl)phosphanium

C26H20P+ — CID 3492871

IUPACtriphenyl(2-phenylethynyl)phosphanium
SMILESC(#C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H20P/c1-5-13-23(14-6-1)21-22-27(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20H/q+1
InChIKeyASHQSKHFJGRKOP-UHFFFAOYSA-N
MW363.42 g/mol
LogP4.99
Rot. Bonds3

About triphenyl(2-phenylethynyl)phosphanium

triphenyl(2-phenylethynyl)phosphanium (PubChem CID 3492871) has the molecular formula C26H20P+ and a molecular weight of 363.42 g/mol. Its IUPAC name is triphenyl(2-phenylethynyl)phosphanium.

Molecular Properties

Compound Nametriphenyl(2-phenylethynyl)phosphanium
PubChem CID3492871
Molecular FormulaC26H20P+
Molecular Weight363.42 g/mol
Exact Mass363.13
IUPAC Nametriphenyl(2-phenylethynyl)phosphanium
SMILESC(#C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H20P/c1-5-13-23(14-6-1)21-22-27(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20H/q+1
InChIKeyASHQSKHFJGRKOP-UHFFFAOYSA-N
XLogP4.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 54.99
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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Frequently Asked Questions

What is the IUPAC name of triphenyl(2-phenylethynyl)phosphanium?
The IUPAC name of triphenyl(2-phenylethynyl)phosphanium (CID 3492871) is triphenyl(2-phenylethynyl)phosphanium.
What is the SMILES notation for triphenyl(2-phenylethynyl)phosphanium?
The canonical SMILES for triphenyl(2-phenylethynyl)phosphanium is C(#C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of triphenyl(2-phenylethynyl)phosphanium?
The InChIKey is ASHQSKHFJGRKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20P/c1-5-13-23(14-6-1)21-22-27(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20H/q+1.
What are the key properties of triphenyl(2-phenylethynyl)phosphanium?
triphenyl(2-phenylethynyl)phosphanium has a molecular weight of 363.42 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl(2-phenylethynyl)phosphanium is sourced from PubChem (CID 3492871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).