[1,2-diphenyl-2-(thiophene-2-carbonyloxy)ethenyl] thiophene-2-carboxylate

C24H16O4S2 — CID 140844707

IUPAC[1,2-diphenyl-2-(thiophene-2-carbonyloxy)ethenyl] thiophene-2-carboxylate
SMILESO=C(OC(=C(OC(=O)c1cccs1)c1ccccc1)c1ccccc1)c1cccs1
InChIInChI=1S/C24H16O4S2/c25-23(19-13-7-15-29-19)27-21(17-9-3-1-4-10-17)22(18-11-5-2-6-12-18)28-24(26)20-14-8-16-30-20/h1-16H
InChIKeyBTIGHRBPHNJZIC-UHFFFAOYSA-N
MW432.52 g/mol
LogP6.35
Rot. Bonds6

About [1,2-diphenyl-2-(thiophene-2-carbonyloxy)ethenyl] thiophene-2-carboxylate

[1,2-diphenyl-2-(thiophene-2-carbonyloxy)ethenyl] thiophene-2-carboxylate (PubChem CID 140844707) has the molecular formula C24H16O4S2 and a molecular weight of 432.52 g/mol. Its IUPAC name is [1,2-diphenyl-2-(thiophene-2-carbonyloxy)ethenyl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[1,2-diphenyl-2-(thiophene-2-carbonyloxy)ethenyl] thiophene-2-carboxylate
PubChem CID140844707
Molecular FormulaC24H16O4S2
Molecular Weight432.52 g/mol
Exact Mass432.05
IUPAC Name[1,2-diphenyl-2-(thiophene-2-carbonyloxy)ethenyl] thiophene-2-carboxylate
SMILESO=C(OC(=C(OC(=O)c1cccs1)c1ccccc1)c1ccccc1)c1cccs1
InChIInChI=1S/C24H16O4S2/c25-23(19-13-7-15-29-19)27-21(17-9-3-1-4-10-17)22(18-11-5-2-6-12-18)28-24(26)20-14-8-16-30-20/h1-16H
InChIKeyBTIGHRBPHNJZIC-UHFFFAOYSA-N
XLogP6.35
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.52
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

benzoyl thiophene-2-carboxylate
CID 174319053
1-phenyl-2-thiophen-2-ylethane-1,2-dione
CID 2175267
benzamido thiophene-2-carboxylate
CID 2804175
[(Z)-[amino(phenyl)methylidene]amino] thiophene-2-carboxylate
CID 5332740
methylcarbamoyl thiophene-2-carboxylate
CID 143396062
phenyl thiophene-2-carboperoxoate
CID 91186228
[(1S)-2-oxo-1,2-diphenylethyl] thiophene-2-carboxylate
CID 849635
benzamide;thiophene-2-carboxamide
CID 174752818
diphenylphosphanyl thiophene-2-carboxylate
CID 150820036
2-[(E)-1,2-diphenyl-2-thiophen-2-ylethenyl]thiophene
CID 10688838
[4-(thiophene-2-carbonyloxy)phenyl] thiophene-2-carboxylate
CID 811680
2-thiophen-2-ylprop-2-enoyl chloride
CID 22601205

Frequently Asked Questions

What is the IUPAC name of [1,2-diphenyl-2-(thiophene-2-carbonyloxy)ethenyl] thiophene-2-carboxylate?
The IUPAC name of [1,2-diphenyl-2-(thiophene-2-carbonyloxy)ethenyl] thiophene-2-carboxylate (CID 140844707) is [1,2-diphenyl-2-(thiophene-2-carbonyloxy)ethenyl] thiophene-2-carboxylate.
What is the SMILES notation for [1,2-diphenyl-2-(thiophene-2-carbonyloxy)ethenyl] thiophene-2-carboxylate?
The canonical SMILES for [1,2-diphenyl-2-(thiophene-2-carbonyloxy)ethenyl] thiophene-2-carboxylate is O=C(OC(=C(OC(=O)c1cccs1)c1ccccc1)c1ccccc1)c1cccs1.
What is the InChIKey of [1,2-diphenyl-2-(thiophene-2-carbonyloxy)ethenyl] thiophene-2-carboxylate?
The InChIKey is BTIGHRBPHNJZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16O4S2/c25-23(19-13-7-15-29-19)27-21(17-9-3-1-4-10-17)22(18-11-5-2-6-12-18)28-24(26)20-14-8-16-30-20/h1-16H.
What are the key properties of [1,2-diphenyl-2-(thiophene-2-carbonyloxy)ethenyl] thiophene-2-carboxylate?
[1,2-diphenyl-2-(thiophene-2-carbonyloxy)ethenyl] thiophene-2-carboxylate has a molecular weight of 432.52 g/mol, XLogP of 6.35, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1,2-diphenyl-2-(thiophene-2-carbonyloxy)ethenyl] thiophene-2-carboxylate is sourced from PubChem (CID 140844707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).