tris(ethyl(triphenyl)phosphanium);phosphite

C60H60O3P4 — CID 157236342

IUPACtris(ethyl(triphenyl)phosphanium);phosphite
SMILESCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[O-]P([O-])[O-]
InChIInChI=1S/3C20H20P.O3P/c3*1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;1-4(2)3/h3*3-17H,2H2,1H3;/q3*+1;-3
InChIKeyAURJIARIAINUFA-UHFFFAOYSA-N
MW953.03 g/mol
LogP9.30
Rot. Bonds12

About tris(ethyl(triphenyl)phosphanium);phosphite

tris(ethyl(triphenyl)phosphanium);phosphite (PubChem CID 157236342) has the molecular formula C60H60O3P4 and a molecular weight of 953.03 g/mol. Its IUPAC name is tris(ethyl(triphenyl)phosphanium);phosphite.

Molecular Properties

Compound Nametris(ethyl(triphenyl)phosphanium);phosphite
PubChem CID157236342
Molecular FormulaC60H60O3P4
Molecular Weight953.03 g/mol
Exact Mass952.35
IUPAC Nametris(ethyl(triphenyl)phosphanium);phosphite
SMILESCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[O-]P([O-])[O-]
InChIInChI=1S/3C20H20P.O3P/c3*1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;1-4(2)3/h3*3-17H,2H2,1H3;/q3*+1;-3
InChIKeyAURJIARIAINUFA-UHFFFAOYSA-N
XLogP9.30
TPSA69.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500953.03
LogP ≤ 59.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

ethyl(triphenyl)phosphanium;hexahydrofluoride
CID 174986237
CID 172998208
CID 172998208
azane;ethyl(triphenyl)phosphanium;iodide;hydroiodide
CID 174751810
ethyl(triphenyl)phosphanium;phosphane;iodide;hydroiodide
CID 174900337
ethyl(triphenyl)phosphanium hexafluorophosphate
CID 22677091
ethyl(triphenyl)phosphanium;trifluorocopper(1-)
CID 19429065
diiodonickel;ethyl(triphenyl)phosphanium
CID 160550890
bromoethane;ethyl(triphenyl)phosphanium;bromide
CID 174716559
acetic acid;ethyl(triphenyl)phosphanium;phosphane;acetate
CID 173397747
ethyl-(3-fluorophenyl)-diphenylphosphanium
CID 174725265
ethyl-(2-methylsulfanylphenyl)-diphenylphosphanium bromide
CID 88831412
chloromethyl(triphenyl)phosphanium;methanolate
CID 18356085

Frequently Asked Questions

What is the IUPAC name of tris(ethyl(triphenyl)phosphanium);phosphite?
The IUPAC name of tris(ethyl(triphenyl)phosphanium);phosphite (CID 157236342) is tris(ethyl(triphenyl)phosphanium);phosphite.
What is the SMILES notation for tris(ethyl(triphenyl)phosphanium);phosphite?
The canonical SMILES for tris(ethyl(triphenyl)phosphanium);phosphite is CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[O-]P([O-])[O-].
What is the InChIKey of tris(ethyl(triphenyl)phosphanium);phosphite?
The InChIKey is AURJIARIAINUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/3C20H20P.O3P/c3*1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;1-4(2)3/h3*3-17H,2H2,1H3;/q3*+1;-3.
What are the key properties of tris(ethyl(triphenyl)phosphanium);phosphite?
tris(ethyl(triphenyl)phosphanium);phosphite has a molecular weight of 953.03 g/mol, XLogP of 9.30, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(ethyl(triphenyl)phosphanium);phosphite is sourced from PubChem (CID 157236342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).