triphenyl(11-phenylundecyl)phosphanium

C35H42P+ — CID 23583359

IUPACtriphenyl(11-phenylundecyl)phosphanium
SMILESc1ccc(CCCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C35H42P/c1(2-4-6-12-22-32-23-13-8-14-24-32)3-5-7-21-31-36(33-25-15-9-16-26-33,34-27-17-10-18-28-34)35-29-19-11-20-30-35/h8-11,13-20,23-30H,1-7,12,21-22,31H2/q+1
InChIKeyISHZTKZCTUDWOA-UHFFFAOYSA-N
MW493.70 g/mol
LogP8.73
Rot. Bonds15

About triphenyl(11-phenylundecyl)phosphanium

triphenyl(11-phenylundecyl)phosphanium (PubChem CID 23583359) has the molecular formula C35H42P+ and a molecular weight of 493.70 g/mol. Its IUPAC name is triphenyl(11-phenylundecyl)phosphanium.

Molecular Properties

Compound Nametriphenyl(11-phenylundecyl)phosphanium
PubChem CID23583359
Molecular FormulaC35H42P+
Molecular Weight493.70 g/mol
Exact Mass493.30
IUPAC Nametriphenyl(11-phenylundecyl)phosphanium
SMILESc1ccc(CCCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C35H42P/c1(2-4-6-12-22-32-23-13-8-14-24-32)3-5-7-21-31-36(33-25-15-9-16-26-33,34-27-17-10-18-28-34)35-29-19-11-20-30-35/h8-11,13-20,23-30H,1-7,12,21-22,31H2/q+1
InChIKeyISHZTKZCTUDWOA-UHFFFAOYSA-N
XLogP8.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.70
LogP ≤ 58.73
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-[2-[3-(5-phenylpentyl)phenyl]ethyl]phosphanium
CID 19755680
6-(4-butylphenyl)hexyl-triphenylphosphanium
CID 129304665
triphenyl(7-triphenylphosphaniumylheptyl)phosphanium dibromide
CID 19082496
triphenyl(2-phenylethyl)phosphanium chloride
CID 88746248
triphenyl(3-triphenylphosphaniumylpropyl)phosphanium;hydrobromide
CID 22210440
4-phenylbutylbenzene
CID 141301927
8-bromooctyl(triphenyl)phosphanium
CID 11991463
hexyl(triphenyl)phosphanium
CID 2724570
5-bromopentyl(triphenyl)phosphanium
CID 53436148
hafnium;4-phenylbutylbenzene
CID 175889972
methane;4-phenylbutylbenzene
CID 173386802
triphenyl(12-phenylmethoxydodecyl)phosphanium
CID 11061139

Frequently Asked Questions

What is the IUPAC name of triphenyl(11-phenylundecyl)phosphanium?
The IUPAC name of triphenyl(11-phenylundecyl)phosphanium (CID 23583359) is triphenyl(11-phenylundecyl)phosphanium.
What is the SMILES notation for triphenyl(11-phenylundecyl)phosphanium?
The canonical SMILES for triphenyl(11-phenylundecyl)phosphanium is c1ccc(CCCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of triphenyl(11-phenylundecyl)phosphanium?
The InChIKey is ISHZTKZCTUDWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H42P/c1(2-4-6-12-22-32-23-13-8-14-24-32)3-5-7-21-31-36(33-25-15-9-16-26-33,34-27-17-10-18-28-34)35-29-19-11-20-30-35/h8-11,13-20,23-30H,1-7,12,21-22,31H2/q+1.
What are the key properties of triphenyl(11-phenylundecyl)phosphanium?
triphenyl(11-phenylundecyl)phosphanium has a molecular weight of 493.70 g/mol, XLogP of 8.73, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl(11-phenylundecyl)phosphanium is sourced from PubChem (CID 23583359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).