2,2,2-triphenylethylphosphanium chloride

C20H20ClP — CID 21496958

IUPAC2,2,2-triphenylethylphosphanium chloride
SMILES[Cl-].[PH3+]CC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H19P.ClH/c21-16-20(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19;/h1-15H,16,21H2;1H
InChIKeyOZLRGRQCDARTFU-UHFFFAOYSA-N
MW326.81 g/mol
LogP1.63
Rot. Bonds4

About 2,2,2-triphenylethylphosphanium chloride

2,2,2-triphenylethylphosphanium chloride (PubChem CID 21496958) has the molecular formula C20H20ClP and a molecular weight of 326.81 g/mol. Its IUPAC name is 2,2,2-triphenylethylphosphanium chloride.

Molecular Properties

Compound Name2,2,2-triphenylethylphosphanium chloride
PubChem CID21496958
Molecular FormulaC20H20ClP
Molecular Weight326.81 g/mol
Exact Mass326.10
IUPAC Name2,2,2-triphenylethylphosphanium chloride
SMILES[Cl-].[PH3+]CC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H19P.ClH/c21-16-20(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19;/h1-15H,16,21H2;1H
InChIKeyOZLRGRQCDARTFU-UHFFFAOYSA-N
XLogP1.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.81
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-triphenylethylsulfanium bromide
CID 172851267
tris(2,2,2-triphenylethanolate);yttrium(3+)
CID 160643710
1,4-bis(2,2,2-triphenylethyl)benzene
CID 3555789
10,10,10-triphenyldecylphosphanium bromide
CID 69307814
13,13,13-triphenyltridecylphosphanium bromide
CID 71354528
3,3,3-triphenylpropan-1-amine
CID 10125450
CID 123237849
CID 123237849
CID 67365449
CID 67365449
3,3,3-triphenylpropylphosphane;hydrobromide
CID 118389375
(2-ethoxy-1,1-diphenylethyl)benzene
CID 58693364
tritylazanium iodide
CID 88708906
4,4,4-triphenylbutane-1,1-diamine
CID 70294591

Frequently Asked Questions

What is the IUPAC name of 2,2,2-triphenylethylphosphanium chloride?
The IUPAC name of 2,2,2-triphenylethylphosphanium chloride (CID 21496958) is 2,2,2-triphenylethylphosphanium chloride.
What is the SMILES notation for 2,2,2-triphenylethylphosphanium chloride?
The canonical SMILES for 2,2,2-triphenylethylphosphanium chloride is [Cl-].[PH3+]CC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2,2-triphenylethylphosphanium chloride?
The InChIKey is OZLRGRQCDARTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19P.ClH/c21-16-20(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19;/h1-15H,16,21H2;1H.
What are the key properties of 2,2,2-triphenylethylphosphanium chloride?
2,2,2-triphenylethylphosphanium chloride has a molecular weight of 326.81 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-triphenylethylphosphanium chloride is sourced from PubChem (CID 21496958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).