triphenyl-[1-(trifluoromethylsulfonyl)-4H-pyridin-4-yl]phosphanium

C24H20F3NO2PS+ — CID 135032828

IUPACtriphenyl-[1-(trifluoromethylsulfonyl)-4H-pyridin-4-yl]phosphanium
SMILESO=S(=O)(N1C=CC([P+](c2ccccc2)(c2ccccc2)c2ccccc2)C=C1)C(F)(F)F
InChIInChI=1S/C24H20F3NO2PS/c25-24(26,27)32(29,30)28-18-16-23(17-19-28)31(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-19,23H/q+1
InChIKeyOENHNZQIKFWZNE-UHFFFAOYSA-N
MW474.46 g/mol
LogP4.54
Rot. Bonds5

About triphenyl-[1-(trifluoromethylsulfonyl)-4H-pyridin-4-yl]phosphanium

triphenyl-[1-(trifluoromethylsulfonyl)-4H-pyridin-4-yl]phosphanium (PubChem CID 135032828) has the molecular formula C24H20F3NO2PS+ and a molecular weight of 474.46 g/mol. Its IUPAC name is triphenyl-[1-(trifluoromethylsulfonyl)-4H-pyridin-4-yl]phosphanium.

Molecular Properties

Compound Nametriphenyl-[1-(trifluoromethylsulfonyl)-4H-pyridin-4-yl]phosphanium
PubChem CID135032828
Molecular FormulaC24H20F3NO2PS+
Molecular Weight474.46 g/mol
Exact Mass474.09
IUPAC Nametriphenyl-[1-(trifluoromethylsulfonyl)-4H-pyridin-4-yl]phosphanium
SMILESO=S(=O)(N1C=CC([P+](c2ccccc2)(c2ccccc2)c2ccccc2)C=C1)C(F)(F)F
InChIInChI=1S/C24H20F3NO2PS/c25-24(26,27)32(29,30)28-18-16-23(17-19-28)31(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-19,23H/q+1
InChIKeyOENHNZQIKFWZNE-UHFFFAOYSA-N
XLogP4.54
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.46
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1-Ethylazaborinin-2-yl)oxy-triphenylphosphanium;trifluoromethanesulfonate
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Bis(trifluoromethylsulfonyl)azanide;3-(dimethylamino)propyl-triphenylphosphanium
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Trifluoromethanesulfonamide;triphenyl(prop-2-enyl)phosphanium
CID 174974005
Trifluoromethanesulfonamide;triphenylphosphane
CID 175237720
[(Z)-2-[di(propan-2-yl)amino]-2-fluoroethenyl]-triphenylphosphanium;trifluoromethanesulfonate
CID 11261429
[(Z)-2-fluoro-2-piperidin-1-ylethenyl]-triphenylphosphanium;trifluoromethanesulfonate
CID 11295642
CID 11318421
CID 11318421
[(Z)-2-(diethylamino)-2-fluoroethenyl]-triphenylphosphanium;trifluoromethanesulfonate
CID 11432506
[Di(propan-2-yl)amino]methyl-triphenylphosphanium;trifluoromethanesulfonate
CID 23231879
[2-diethoxyphosphoryl-1-(trifluoromethylsulfonyl)-2H-pyridin-4-yl]-triphenylphosphanium
CID 23256951

Frequently Asked Questions

What is the IUPAC name of triphenyl-[1-(trifluoromethylsulfonyl)-4H-pyridin-4-yl]phosphanium?
The IUPAC name of triphenyl-[1-(trifluoromethylsulfonyl)-4H-pyridin-4-yl]phosphanium (CID 135032828) is triphenyl-[1-(trifluoromethylsulfonyl)-4H-pyridin-4-yl]phosphanium.
What is the SMILES notation for triphenyl-[1-(trifluoromethylsulfonyl)-4H-pyridin-4-yl]phosphanium?
The canonical SMILES for triphenyl-[1-(trifluoromethylsulfonyl)-4H-pyridin-4-yl]phosphanium is O=S(=O)(N1C=CC([P+](c2ccccc2)(c2ccccc2)c2ccccc2)C=C1)C(F)(F)F.
What is the InChIKey of triphenyl-[1-(trifluoromethylsulfonyl)-4H-pyridin-4-yl]phosphanium?
The InChIKey is OENHNZQIKFWZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3NO2PS/c25-24(26,27)32(29,30)28-18-16-23(17-19-28)31(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-19,23H/q+1.
What are the key properties of triphenyl-[1-(trifluoromethylsulfonyl)-4H-pyridin-4-yl]phosphanium?
triphenyl-[1-(trifluoromethylsulfonyl)-4H-pyridin-4-yl]phosphanium has a molecular weight of 474.46 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[1-(trifluoromethylsulfonyl)-4H-pyridin-4-yl]phosphanium is sourced from PubChem (CID 135032828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).