tris(tetrahexadecylphosphanium);phosphite

C192H396O3P4 — CID 157109987

IUPACtris(tetrahexadecylphosphanium);phosphite
SMILESCCCCCCCCCCCCCCCC[P+](CCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCC[P+](CCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCC[P+](CCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC.[O-]P([O-])[O-]
InChIInChI=1S/3C64H132P.O3P/c3*1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65(62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2,63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4;1-4(2)3/h3*5-64H2,1-4H3;/q3*+1;-3
InChIKeyAGSUMJPNBFDLOT-UHFFFAOYSA-N
MW2877.17 g/mol
LogP72.08
Rot. Bonds180

About tris(tetrahexadecylphosphanium);phosphite

tris(tetrahexadecylphosphanium);phosphite (PubChem CID 157109987) has the molecular formula C192H396O3P4 and a molecular weight of 2877.17 g/mol. Its IUPAC name is tris(tetrahexadecylphosphanium);phosphite.

Molecular Properties

Compound Nametris(tetrahexadecylphosphanium);phosphite
PubChem CID157109987
Molecular FormulaC192H396O3P4
Molecular Weight2877.17 g/mol
Exact Mass2874.98
IUPAC Nametris(tetrahexadecylphosphanium);phosphite
SMILESCCCCCCCCCCCCCCCC[P+](CCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCC[P+](CCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCC[P+](CCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC.[O-]P([O-])[O-]
InChIInChI=1S/3C64H132P.O3P/c3*1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65(62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2,63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4;1-4(2)3/h3*5-64H2,1-4H3;/q3*+1;-3
InChIKeyAGSUMJPNBFDLOT-UHFFFAOYSA-N
XLogP72.08
TPSA69.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds180
Heavy Atoms199
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002877.17
LogP ≤ 572.08
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

tri(heptadecyl)-pentadecylphosphanium
CID 87810198
heptyl-tri(undecyl)phosphanium
CID 87895668
tri(nonadecyl)-undecylphosphanium
CID 87808807
heptyl-tri(tetradecyl)phosphanium
CID 87807444
tri(nonyl)-octylphosphanium
CID 87811687
dodecyl-tri(tetradecyl)phosphanium
CID 87807387
dihexyl(dioctyl)phosphanium
CID 87323731
trihexyl-[12-[hexyl(dioctyl)phosphaniumyl]dodecyl]phosphanium
CID 158334391
tridodecyl(heptyl)phosphanium
CID 87810947
trioctyl(undecyl)phosphanium
CID 87776674
tripentyl(tridecyl)phosphanium
CID 87194414
nonyl-tri(pentadecyl)phosphanium
CID 87807671

Frequently Asked Questions

What is the IUPAC name of tris(tetrahexadecylphosphanium);phosphite?
The IUPAC name of tris(tetrahexadecylphosphanium);phosphite (CID 157109987) is tris(tetrahexadecylphosphanium);phosphite.
What is the SMILES notation for tris(tetrahexadecylphosphanium);phosphite?
The canonical SMILES for tris(tetrahexadecylphosphanium);phosphite is CCCCCCCCCCCCCCCC[P+](CCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCC[P+](CCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCC[P+](CCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC.[O-]P([O-])[O-].
What is the InChIKey of tris(tetrahexadecylphosphanium);phosphite?
The InChIKey is AGSUMJPNBFDLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/3C64H132P.O3P/c3*1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65(62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2,63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4;1-4(2)3/h3*5-64H2,1-4H3;/q3*+1;-3.
What are the key properties of tris(tetrahexadecylphosphanium);phosphite?
tris(tetrahexadecylphosphanium);phosphite has a molecular weight of 2877.17 g/mol, XLogP of 72.08, 180 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(tetrahexadecylphosphanium);phosphite is sourced from PubChem (CID 157109987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).