[bis(4-methoxyphenyl)-phenyl-λ4-sulfanyl]-(trifluoromethylsulfonyl)oxidanium

C21H20F3O5S2+ — CID 91040883

IUPAC[bis(4-methoxyphenyl)-phenyl-λ4-sulfanyl]-(trifluoromethylsulfonyl)oxidanium
SMILESCOc1ccc(S([OH+]S(=O)(=O)C(F)(F)F)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C21H19F3O5S2/c1-27-16-8-12-19(13-9-16)30(18-6-4-3-5-7-18,29-31(25,26)21(22,23)24)20-14-10-17(28-2)11-15-20/h3-15H,1-2H3/p+1
InChIKeyLWLJLZRFFYBDGU-UHFFFAOYSA-O
MW473.51 g/mol
LogP5.84
Rot. Bonds7

About [bis(4-methoxyphenyl)-phenyl-λ4-sulfanyl]-(trifluoromethylsulfonyl)oxidanium

[bis(4-methoxyphenyl)-phenyl-λ4-sulfanyl]-(trifluoromethylsulfonyl)oxidanium (PubChem CID 91040883) has the molecular formula C21H20F3O5S2+ and a molecular weight of 473.51 g/mol. Its IUPAC name is [bis(4-methoxyphenyl)-phenyl-λ4-sulfanyl]-(trifluoromethylsulfonyl)oxidanium.

Molecular Properties

Compound Name[bis(4-methoxyphenyl)-phenyl-λ4-sulfanyl]-(trifluoromethylsulfonyl)oxidanium
PubChem CID91040883
Molecular FormulaC21H20F3O5S2+
Molecular Weight473.51 g/mol
Exact Mass473.07
IUPAC Name[bis(4-methoxyphenyl)-phenyl-λ4-sulfanyl]-(trifluoromethylsulfonyl)oxidanium
SMILESCOc1ccc(S([OH+]S(=O)(=O)C(F)(F)F)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C21H19F3O5S2/c1-27-16-8-12-19(13-9-16)30(18-6-4-3-5-7-18,29-31(25,26)21(22,23)24)20-14-10-17(28-2)11-15-20/h3-15H,1-2H3/p+1
InChIKeyLWLJLZRFFYBDGU-UHFFFAOYSA-O
XLogP5.84
TPSA65.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.51
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze [bis(4-methoxyphenyl)-phenyl-λ4-sulfanyl]-(trifluoromethylsulfonyl)oxidanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(4-methoxy-3,5-dimethylphenyl)-diphenyl-λ4-sulfanyl]-(trifluoromethylsulfonyl)oxidanium
CID 91366783
[bis(4-methoxyphenyl)-(5-phenylsulfanylthiophen-2-yl)-λ4-sulfanyl]-(trifluoromethylsulfonyl)oxidanium
CID 90745699
anisole;azane;osmium(2+);bis(trifluoromethanesulfonate)
CID 11104386
methane;(4-methoxyphenyl)-diphenylsulfanium;trifluoromethanesulfonate;bis(triphenylsulfanium)
CID 159553561
iodobenzene;(4-methoxyphenyl) trifluoromethanesulfonate
CID 87453679
(4-methoxyphenyl)-diphenylsulfanium;trifluoromethyl benzenesulfonate
CID 158808979
anisole;2,2,2-trifluoroacetic acid
CID 66633105
[(4-methoxyphenyl)-bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-λ4-sulfanyl]-(4-methylphenyl)sulfonyloxidanium
CID 57011615
bis(4-methylphenyl)-phenylsulfanium;(4-methoxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;tetrakis(trifluoromethanesulfonate);tris(4-methylphenyl)sulfanium
CID 159993942
1-methoxy-4-(trifluoromethylsulfonylmethylsulfonyl)benzene
CID 1482939
[(Z)-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethylidene]amino] 4-(benzenesulfonyloxy)benzenesulfonate
CID 20811096
1-methoxy-4-[4-(4-methoxyphenyl)sulfonylphenyl]sulfonylbenzene
CID 71186281

Frequently Asked Questions

What is the IUPAC name of [bis(4-methoxyphenyl)-phenyl-λ4-sulfanyl]-(trifluoromethylsulfonyl)oxidanium?
The IUPAC name of [bis(4-methoxyphenyl)-phenyl-λ4-sulfanyl]-(trifluoromethylsulfonyl)oxidanium (CID 91040883) is [bis(4-methoxyphenyl)-phenyl-λ4-sulfanyl]-(trifluoromethylsulfonyl)oxidanium.
What is the SMILES notation for [bis(4-methoxyphenyl)-phenyl-λ4-sulfanyl]-(trifluoromethylsulfonyl)oxidanium?
The canonical SMILES for [bis(4-methoxyphenyl)-phenyl-λ4-sulfanyl]-(trifluoromethylsulfonyl)oxidanium is COc1ccc(S([OH+]S(=O)(=O)C(F)(F)F)(c2ccccc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of [bis(4-methoxyphenyl)-phenyl-λ4-sulfanyl]-(trifluoromethylsulfonyl)oxidanium?
The InChIKey is LWLJLZRFFYBDGU-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H19F3O5S2/c1-27-16-8-12-19(13-9-16)30(18-6-4-3-5-7-18,29-31(25,26)21(22,23)24)20-14-10-17(28-2)11-15-20/h3-15H,1-2H3/p+1.
What are the key properties of [bis(4-methoxyphenyl)-phenyl-λ4-sulfanyl]-(trifluoromethylsulfonyl)oxidanium?
[bis(4-methoxyphenyl)-phenyl-λ4-sulfanyl]-(trifluoromethylsulfonyl)oxidanium has a molecular weight of 473.51 g/mol, XLogP of 5.84, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [bis(4-methoxyphenyl)-phenyl-λ4-sulfanyl]-(trifluoromethylsulfonyl)oxidanium is sourced from PubChem (CID 91040883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).