3-[5-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]thiophen-2-yl]chromen-2-one

C23H14O2S3 — CID 90444268

IUPAC3-[5-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]thiophen-2-yl]chromen-2-one
SMILESO=c1oc2ccccc2cc1-c1ccc(/C=C/c2ccc(-c3cccs3)s2)s1
InChIInChI=1S/C23H14O2S3/c24-23-18(14-15-4-1-2-5-19(15)25-23)20-11-9-16(27-20)7-8-17-10-12-22(28-17)21-6-3-13-26-21/h1-14H/b8-7+
InChIKeyAOUOLYARTHRQOJ-BQYQJAHWSA-N
MW418.56 g/mol
LogP7.48
Rot. Bonds4

About 3-[5-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]thiophen-2-yl]chromen-2-one

3-[5-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]thiophen-2-yl]chromen-2-one (PubChem CID 90444268) has the molecular formula C23H14O2S3 and a molecular weight of 418.56 g/mol. Its IUPAC name is 3-[5-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]thiophen-2-yl]chromen-2-one.

Molecular Properties

Compound Name3-[5-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]thiophen-2-yl]chromen-2-one
PubChem CID90444268
Molecular FormulaC23H14O2S3
Molecular Weight418.56 g/mol
Exact Mass418.02
IUPAC Name3-[5-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]thiophen-2-yl]chromen-2-one
SMILESO=c1oc2ccccc2cc1-c1ccc(/C=C/c2ccc(-c3cccs3)s2)s1
InChIInChI=1S/C23H14O2S3/c24-23-18(14-15-4-1-2-5-19(15)25-23)20-11-9-16(27-20)7-8-17-10-12-22(28-17)21-6-3-13-26-21/h1-14H/b8-7+
InChIKeyAOUOLYARTHRQOJ-BQYQJAHWSA-N
XLogP7.48
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.56
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[5-[5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrrol-2-yl]thiophen-2-yl]chromen-2-one
CID 90444276
6,7-dihydroxy-3-thiophen-2-ylchromen-2-one
CID 23371942
2-[(Z)-prop-1-enyl]-5-thiophen-2-ylthiophene
CID 67628912
2-prop-1-enyl-5-thiophen-2-ylthiophene
CID 54395841
2,9-bis[2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]-1,10-phenanthroline
CID 66867019
3-[2-(2-aminoethenyl)-1,3-thiazol-4-yl]chromen-2-one
CID 154050171
2-(5-methylthiophen-2-yl)-5-[5-[(E)-2-[5-(2-thiophen-2-ylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]ethenyl]thiophen-2-yl]thieno[3,2-b]thiophene
CID 144628300
3-phenylchromen-2-one;hydrochloride
CID 141206894
3-[(3S)-2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]chromen-2-one
CID 40539482
carbon dioxide;7-piperidin-1-yl-3-thiophen-2-ylchromen-2-one
CID 163421980
(E)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
CID 6173167
3-(2-hydroxyphenyl)chromen-2-one
CID 819892

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]thiophen-2-yl]chromen-2-one?
The IUPAC name of 3-[5-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]thiophen-2-yl]chromen-2-one (CID 90444268) is 3-[5-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]thiophen-2-yl]chromen-2-one.
What is the SMILES notation for 3-[5-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]thiophen-2-yl]chromen-2-one?
The canonical SMILES for 3-[5-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]thiophen-2-yl]chromen-2-one is O=c1oc2ccccc2cc1-c1ccc(/C=C/c2ccc(-c3cccs3)s2)s1.
What is the InChIKey of 3-[5-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]thiophen-2-yl]chromen-2-one?
The InChIKey is AOUOLYARTHRQOJ-BQYQJAHWSA-N. The full InChI is InChI=1S/C23H14O2S3/c24-23-18(14-15-4-1-2-5-19(15)25-23)20-11-9-16(27-20)7-8-17-10-12-22(28-17)21-6-3-13-26-21/h1-14H/b8-7+.
What are the key properties of 3-[5-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]thiophen-2-yl]chromen-2-one?
3-[5-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]thiophen-2-yl]chromen-2-one has a molecular weight of 418.56 g/mol, XLogP of 7.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]thiophen-2-yl]chromen-2-one is sourced from PubChem (CID 90444268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).