triphenyl(tetradecyl)phosphanium phenoxide

C38H49OP — CID 18356136

IUPACtriphenyl(tetradecyl)phosphanium phenoxide
SMILESCCCCCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[O-]c1ccccc1
InChIInChI=1S/C32H44P.C6H6O/c1-2-3-4-5-6-7-8-9-10-11-12-22-29-33(30-23-16-13-17-24-30,31-25-18-14-19-26-31)32-27-20-15-21-28-32;7-6-4-2-1-3-5-6/h13-21,23-28H,2-12,22,29H2,1H3;1-5,7H/q+1;/p-1
InChIKeyFGKQEVWKGYMWMT-UHFFFAOYSA-M
MW552.78 g/mol
LogP9.44
Rot. Bonds16

About triphenyl(tetradecyl)phosphanium phenoxide

triphenyl(tetradecyl)phosphanium phenoxide (PubChem CID 18356136) has the molecular formula C38H49OP and a molecular weight of 552.78 g/mol. Its IUPAC name is triphenyl(tetradecyl)phosphanium phenoxide.

Molecular Properties

Compound Nametriphenyl(tetradecyl)phosphanium phenoxide
PubChem CID18356136
Molecular FormulaC38H49OP
Molecular Weight552.78 g/mol
Exact Mass552.35
IUPAC Nametriphenyl(tetradecyl)phosphanium phenoxide
SMILESCCCCCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[O-]c1ccccc1
InChIInChI=1S/C32H44P.C6H6O/c1-2-3-4-5-6-7-8-9-10-11-12-22-29-33(30-23-16-13-17-24-30,31-25-18-14-19-26-31)32-27-20-15-21-28-32;7-6-4-2-1-3-5-6/h13-21,23-28H,2-12,22,29H2,1H3;1-5,7H/q+1;/p-1
InChIKeyFGKQEVWKGYMWMT-UHFFFAOYSA-M
XLogP9.44
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.78
LogP ≤ 59.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

octyl(triphenyl)phosphanium phenoxide
CID 18355967
hexyl(triphenyl)phosphanium
CID 2724570
dodecyl(triphenyl)phosphanium iodide
CID 22245251
triphenyl(undecyl)phosphanium chloride
CID 22921220
dodecyl(triphenyl)phosphanium fluoride
CID 88725542
nonyl(triphenyl)phosphanium;phosphane;bromide
CID 174988859
nonyl(triphenyl)phosphanium;trichlorozinc(1-)
CID 19420228
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
dodecyl-[2-[dodecyl(diphenyl)phosphaniumyl]ethyl]-diphenylphosphanium
CID 102531714
[(E)-pentadec-4-enyl]-triphenylphosphanium iodide
CID 10698794

Frequently Asked Questions

What is the IUPAC name of triphenyl(tetradecyl)phosphanium phenoxide?
The IUPAC name of triphenyl(tetradecyl)phosphanium phenoxide (CID 18356136) is triphenyl(tetradecyl)phosphanium phenoxide.
What is the SMILES notation for triphenyl(tetradecyl)phosphanium phenoxide?
The canonical SMILES for triphenyl(tetradecyl)phosphanium phenoxide is CCCCCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[O-]c1ccccc1.
What is the InChIKey of triphenyl(tetradecyl)phosphanium phenoxide?
The InChIKey is FGKQEVWKGYMWMT-UHFFFAOYSA-M. The full InChI is InChI=1S/C32H44P.C6H6O/c1-2-3-4-5-6-7-8-9-10-11-12-22-29-33(30-23-16-13-17-24-30,31-25-18-14-19-26-31)32-27-20-15-21-28-32;7-6-4-2-1-3-5-6/h13-21,23-28H,2-12,22,29H2,1H3;1-5,7H/q+1;/p-1.
What are the key properties of triphenyl(tetradecyl)phosphanium phenoxide?
triphenyl(tetradecyl)phosphanium phenoxide has a molecular weight of 552.78 g/mol, XLogP of 9.44, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl(tetradecyl)phosphanium phenoxide is sourced from PubChem (CID 18356136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).