hexyl(triphenyl)phosphanium

C24H28P+ — CID 2724570

IUPAChexyl(triphenyl)phosphanium
SMILESCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H28P/c1-2-3-4-14-21-25(22-15-8-5-9-16-22,23-17-10-6-11-18-23)24-19-12-7-13-20-24/h5-13,15-20H,2-4,14,21H2,1H3/q+1
InChIKeyCBPVAIUOSQZRCK-UHFFFAOYSA-N
MW347.46 g/mol
LogP5.56
Rot. Bonds8

About hexyl(triphenyl)phosphanium

hexyl(triphenyl)phosphanium (PubChem CID 2724570) has the molecular formula C24H28P+ and a molecular weight of 347.46 g/mol. Its IUPAC name is hexyl(triphenyl)phosphanium.

Molecular Properties

Compound Namehexyl(triphenyl)phosphanium
PubChem CID2724570
Molecular FormulaC24H28P+
Molecular Weight347.46 g/mol
Exact Mass347.19
IUPAC Namehexyl(triphenyl)phosphanium
SMILESCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H28P/c1-2-3-4-14-21-25(22-15-8-5-9-16-22,23-17-10-6-11-18-23)24-19-12-7-13-20-24/h5-13,15-20H,2-4,14,21H2,1H3/q+1
InChIKeyCBPVAIUOSQZRCK-UHFFFAOYSA-N
XLogP5.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.46
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

triphenyl(undecyl)phosphanium chloride
CID 22921220
dodecyl(triphenyl)phosphanium iodide
CID 22245251
dodecyl(triphenyl)phosphanium fluoride
CID 88725542
nonyl(triphenyl)phosphanium;phosphane;bromide
CID 174988859
nonyl(triphenyl)phosphanium;trichlorozinc(1-)
CID 19420228
triphenyl(tetradecyl)phosphanium phenoxide
CID 18356136
octyl(triphenyl)phosphanium phenoxide
CID 18355967
butyl(triphenyl)phosphanium;phosphane;chloride
CID 172806882
triphenyl-[(Z)-tetradec-7-enyl]phosphanium
CID 42631990
[(12E,24E,36E,48E,60E)-hexahexaconta-12,24,36,48,60-pentaenyl]-triphenylphosphanium
CID 10796462
[(E)-pentadec-4-enyl]-triphenylphosphanium iodide
CID 10698794
triphenyl(7-triphenylphosphaniumylheptyl)phosphanium dibromide
CID 19082496

Frequently Asked Questions

What is the IUPAC name of hexyl(triphenyl)phosphanium?
The IUPAC name of hexyl(triphenyl)phosphanium (CID 2724570) is hexyl(triphenyl)phosphanium.
What is the SMILES notation for hexyl(triphenyl)phosphanium?
The canonical SMILES for hexyl(triphenyl)phosphanium is CCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of hexyl(triphenyl)phosphanium?
The InChIKey is CBPVAIUOSQZRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28P/c1-2-3-4-14-21-25(22-15-8-5-9-16-22,23-17-10-6-11-18-23)24-19-12-7-13-20-24/h5-13,15-20H,2-4,14,21H2,1H3/q+1.
What are the key properties of hexyl(triphenyl)phosphanium?
hexyl(triphenyl)phosphanium has a molecular weight of 347.46 g/mol, XLogP of 5.56, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl(triphenyl)phosphanium is sourced from PubChem (CID 2724570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).