octadecyl-tris(4-phenoxyphenyl)phosphanium

C54H64O3P+ — CID 102265785

IUPACoctadecyl-tris(4-phenoxyphenyl)phosphanium
SMILESCCCCCCCCCCCCCCCCCC[P+](c1ccc(Oc2ccccc2)cc1)(c1ccc(Oc2ccccc2)cc1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C54H64O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-26-45-58(52-39-33-49(34-40-52)55-46-27-20-17-21-28-46,53-41-35-50(36-42-53)56-47-29-22-18-23-30-47)54-43-37-51(38-44-54)57-48-31-24-19-25-32-48/h17-25,27-44H,2-16,26,45H2,1H3/q+1
InChIKeyODCJEFUDDOIMDA-UHFFFAOYSA-N
MW792.08 g/mol
LogP15.62
Rot. Bonds26

About octadecyl-tris(4-phenoxyphenyl)phosphanium

octadecyl-tris(4-phenoxyphenyl)phosphanium (PubChem CID 102265785) has the molecular formula C54H64O3P+ and a molecular weight of 792.08 g/mol. Its IUPAC name is octadecyl-tris(4-phenoxyphenyl)phosphanium.

Molecular Properties

Compound Nameoctadecyl-tris(4-phenoxyphenyl)phosphanium
PubChem CID102265785
Molecular FormulaC54H64O3P+
Molecular Weight792.08 g/mol
Exact Mass791.46
IUPAC Nameoctadecyl-tris(4-phenoxyphenyl)phosphanium
SMILESCCCCCCCCCCCCCCCCCC[P+](c1ccc(Oc2ccccc2)cc1)(c1ccc(Oc2ccccc2)cc1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C54H64O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-26-45-58(52-39-33-49(34-40-52)55-46-27-20-17-21-28-46,53-41-35-50(36-42-53)56-47-29-22-18-23-30-47)54-43-37-51(38-44-54)57-48-31-24-19-25-32-48/h17-25,27-44H,2-16,26,45H2,1H3/q+1
InChIKeyODCJEFUDDOIMDA-UHFFFAOYSA-N
XLogP15.62
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds26
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.08
LogP ≤ 515.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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
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
1-(1-bromoheptyl)-4-phenoxybenzene
CID 114753560
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
butyl(triphenyl)phosphanium;phosphane;chloride
CID 172806882

Frequently Asked Questions

What is the IUPAC name of octadecyl-tris(4-phenoxyphenyl)phosphanium?
The IUPAC name of octadecyl-tris(4-phenoxyphenyl)phosphanium (CID 102265785) is octadecyl-tris(4-phenoxyphenyl)phosphanium.
What is the SMILES notation for octadecyl-tris(4-phenoxyphenyl)phosphanium?
The canonical SMILES for octadecyl-tris(4-phenoxyphenyl)phosphanium is CCCCCCCCCCCCCCCCCC[P+](c1ccc(Oc2ccccc2)cc1)(c1ccc(Oc2ccccc2)cc1)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of octadecyl-tris(4-phenoxyphenyl)phosphanium?
The InChIKey is ODCJEFUDDOIMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H64O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-26-45-58(52-39-33-49(34-40-52)55-46-27-20-17-21-28-46,53-41-35-50(36-42-53)56-47-29-22-18-23-30-47)54-43-37-51(38-44-54)57-48-31-24-19-25-32-48/h17-25,27-44H,2-16,26,45H2,1H3/q+1.
What are the key properties of octadecyl-tris(4-phenoxyphenyl)phosphanium?
octadecyl-tris(4-phenoxyphenyl)phosphanium has a molecular weight of 792.08 g/mol, XLogP of 15.62, 26 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for octadecyl-tris(4-phenoxyphenyl)phosphanium is sourced from PubChem (CID 102265785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).