1,1,2,2,2-pentadeuterioethyl(triphenyl)phosphanium

C20H20P+ — CID 71316676

IUPAC1,1,2,2,2-pentadeuterioethyl(triphenyl)phosphanium
SMILES[2H]C([2H])([2H])C([2H])([2H])[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H20P/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17H,2H2,1H3/q+1/i1D3,2D2
InChIKeyGELSOTNVVKOYAW-ZBJDZAJPSA-N
MW296.38 g/mol
LogP4.00
Rot. Bonds5

About 1,1,2,2,2-pentadeuterioethyl(triphenyl)phosphanium

1,1,2,2,2-pentadeuterioethyl(triphenyl)phosphanium (PubChem CID 71316676) has the molecular formula C20H20P+ and a molecular weight of 296.38 g/mol. Its IUPAC name is 1,1,2,2,2-pentadeuterioethyl(triphenyl)phosphanium.

Molecular Properties

Compound Name1,1,2,2,2-pentadeuterioethyl(triphenyl)phosphanium
PubChem CID71316676
Molecular FormulaC20H20P+
Molecular Weight296.38 g/mol
Exact Mass296.16
IUPAC Name1,1,2,2,2-pentadeuterioethyl(triphenyl)phosphanium
SMILES[2H]C([2H])([2H])C([2H])([2H])[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H20P/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17H,2H2,1H3/q+1/i1D3,2D2
InChIKeyGELSOTNVVKOYAW-ZBJDZAJPSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethyl(triphenyl)phosphanium;hexahydrofluoride
CID 174986237
[(3Z,6Z)-8,8,9,9,9-pentadeuterionona-3,6-dienyl]-triphenylphosphanium
CID 10437824
palladium;triphenyl(2-triphenylphosphaniumylethyl)phosphanium
CID 87290696
triphenyl(2-triphenylphosphaniumylethyl)phosphanium dibromide
CID 2785215
CID 172998208
CID 172998208
aminomethyl(triphenyl)phosphanium
CID 155040126
tris(ethyl(triphenyl)phosphanium);phosphite
CID 157236342
chloromethyl(triphenyl)phosphanium;methanolate
CID 18356085
triphenyl(propyl)phosphanium;hydrochloride
CID 118516578
[2-methyl-3-triphenylphosphaniumyl-2-(triphenylphosphaniumylmethyl)propyl]-triphenylphosphanium
CID 101168782
azane;ethyl(triphenyl)phosphanium;iodide;hydroiodide
CID 174751810
ethyl(triphenyl)phosphanium;phosphane;iodide;hydroiodide
CID 174900337

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,2-pentadeuterioethyl(triphenyl)phosphanium?
The IUPAC name of 1,1,2,2,2-pentadeuterioethyl(triphenyl)phosphanium (CID 71316676) is 1,1,2,2,2-pentadeuterioethyl(triphenyl)phosphanium.
What is the SMILES notation for 1,1,2,2,2-pentadeuterioethyl(triphenyl)phosphanium?
The canonical SMILES for 1,1,2,2,2-pentadeuterioethyl(triphenyl)phosphanium is [2H]C([2H])([2H])C([2H])([2H])[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,1,2,2,2-pentadeuterioethyl(triphenyl)phosphanium?
The InChIKey is GELSOTNVVKOYAW-ZBJDZAJPSA-N. The full InChI is InChI=1S/C20H20P/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17H,2H2,1H3/q+1/i1D3,2D2.
What are the key properties of 1,1,2,2,2-pentadeuterioethyl(triphenyl)phosphanium?
1,1,2,2,2-pentadeuterioethyl(triphenyl)phosphanium has a molecular weight of 296.38 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,2-pentadeuterioethyl(triphenyl)phosphanium is sourced from PubChem (CID 71316676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).