triphenyl(undecyl)phosphanium chloride

C29H38ClP — CID 22921220

IUPACtriphenyl(undecyl)phosphanium chloride
SMILESCCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C29H38P.ClH/c1-2-3-4-5-6-7-8-9-19-26-30(27-20-13-10-14-21-27,28-22-15-11-16-23-28)29-24-17-12-18-25-29;/h10-18,20-25H,2-9,19,26H2,1H3;1H/q+1;/p-1
InChIKeyOOXNWKXPNNLCEG-UHFFFAOYSA-M
MW453.05 g/mol
LogP4.52
Rot. Bonds13

About triphenyl(undecyl)phosphanium chloride

triphenyl(undecyl)phosphanium chloride (PubChem CID 22921220) has the molecular formula C29H38ClP and a molecular weight of 453.05 g/mol. Its IUPAC name is triphenyl(undecyl)phosphanium chloride.

Molecular Properties

Compound Nametriphenyl(undecyl)phosphanium chloride
PubChem CID22921220
Molecular FormulaC29H38ClP
Molecular Weight453.05 g/mol
Exact Mass452.24
IUPAC Nametriphenyl(undecyl)phosphanium chloride
SMILESCCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C29H38P.ClH/c1-2-3-4-5-6-7-8-9-19-26-30(27-20-13-10-14-21-27,28-22-15-11-16-23-28)29-24-17-12-18-25-29;/h10-18,20-25H,2-9,19,26H2,1H3;1H/q+1;/p-1
InChIKeyOOXNWKXPNNLCEG-UHFFFAOYSA-M
XLogP4.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.05
LogP ≤ 54.52
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

hexyl(triphenyl)phosphanium
CID 2724570
dodecyl(triphenyl)phosphanium iodide
CID 22245251
dodecyl(triphenyl)phosphanium fluoride
CID 88725542
nonyl(triphenyl)phosphanium;phosphane;bromide
CID 174988859
butyl(triphenyl)phosphanium;phosphane;chloride
CID 172806882
nonyl(triphenyl)phosphanium;trichlorozinc(1-)
CID 19420228
triphenyl(tetradecyl)phosphanium phenoxide
CID 18356136
octyl(triphenyl)phosphanium phenoxide
CID 18355967
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 triphenyl(undecyl)phosphanium chloride?
The IUPAC name of triphenyl(undecyl)phosphanium chloride (CID 22921220) is triphenyl(undecyl)phosphanium chloride.
What is the SMILES notation for triphenyl(undecyl)phosphanium chloride?
The canonical SMILES for triphenyl(undecyl)phosphanium chloride is CCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-].
What is the InChIKey of triphenyl(undecyl)phosphanium chloride?
The InChIKey is OOXNWKXPNNLCEG-UHFFFAOYSA-M. The full InChI is InChI=1S/C29H38P.ClH/c1-2-3-4-5-6-7-8-9-19-26-30(27-20-13-10-14-21-27,28-22-15-11-16-23-28)29-24-17-12-18-25-29;/h10-18,20-25H,2-9,19,26H2,1H3;1H/q+1;/p-1.
What are the key properties of triphenyl(undecyl)phosphanium chloride?
triphenyl(undecyl)phosphanium chloride has a molecular weight of 453.05 g/mol, XLogP of 4.52, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl(undecyl)phosphanium chloride is sourced from PubChem (CID 22921220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).