1,2,2-triphenylethenesulfonic acid

C20H16O3S — CID 141358047

IUPAC1,2,2-triphenylethenesulfonic acid
SMILESO=S(=O)(O)C(=C(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H16O3S/c21-24(22,23)20(18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15H,(H,21,22,23)
InChIKeyKKCXOROAMBUXBS-UHFFFAOYSA-N
MW336.41 g/mol
LogP4.49
Rot. Bonds4

About 1,2,2-triphenylethenesulfonic acid

1,2,2-triphenylethenesulfonic acid (PubChem CID 141358047) has the molecular formula C20H16O3S and a molecular weight of 336.41 g/mol. Its IUPAC name is 1,2,2-triphenylethenesulfonic acid.

Molecular Properties

Compound Name1,2,2-triphenylethenesulfonic acid
PubChem CID141358047
Molecular FormulaC20H16O3S
Molecular Weight336.41 g/mol
Exact Mass336.08
IUPAC Name1,2,2-triphenylethenesulfonic acid
SMILESO=S(=O)(O)C(=C(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H16O3S/c21-24(22,23)20(18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15H,(H,21,22,23)
InChIKeyKKCXOROAMBUXBS-UHFFFAOYSA-N
XLogP4.49
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-amino-2-methyl-3-oxo-1-phenylprop-1-ene-1-sulfonic acid
CID 88606482
dilithium;hydride;1,2,2-triphenylethenylbenzene
CID 173364079
phosphane;1,2,2-triphenylethenylbenzene
CID 157288563
CID 67882804
CID 67882804
1-phenyl-2-[2-(1,3,5-triazin-2-yl)phenyl]ethene-1,2-disulfonic acid
CID 54142630
azulene;sulfuric acid
CID 172847947
1,2-diphenylethene-1,2-diamine;sulfuric acid
CID 70255418
2-hexoxysulfonyl-1,2-diphenylethenesulfonic acid
CID 175540048
1,1-diphenylprop-1-en-2-yl methanesulfonate
CID 135076312
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
benzoyl(sulfo)sulfamic acid
CID 54081519
benzoic acid;sulfo hydrogen sulfate
CID 174783789

Frequently Asked Questions

What is the IUPAC name of 1,2,2-triphenylethenesulfonic acid?
The IUPAC name of 1,2,2-triphenylethenesulfonic acid (CID 141358047) is 1,2,2-triphenylethenesulfonic acid.
What is the SMILES notation for 1,2,2-triphenylethenesulfonic acid?
The canonical SMILES for 1,2,2-triphenylethenesulfonic acid is O=S(=O)(O)C(=C(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of 1,2,2-triphenylethenesulfonic acid?
The InChIKey is KKCXOROAMBUXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O3S/c21-24(22,23)20(18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15H,(H,21,22,23).
What are the key properties of 1,2,2-triphenylethenesulfonic acid?
1,2,2-triphenylethenesulfonic acid has a molecular weight of 336.41 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-triphenylethenesulfonic acid is sourced from PubChem (CID 141358047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).