4,5-diphenylthieno[2,3-c]pyran-7-one

C19H12O2S — CID 42639703

IUPAC4,5-diphenylthieno[2,3-c]pyran-7-one
SMILESO=c1oc(-c2ccccc2)c(-c2ccccc2)c2ccsc12
InChIInChI=1S/C19H12O2S/c20-19-18-15(11-12-22-18)16(13-7-3-1-4-8-13)17(21-19)14-9-5-2-6-10-14/h1-12H
InChIKeyYUNMQZIHAOLFBH-UHFFFAOYSA-N
MW304.37 g/mol
LogP5.19
Rot. Bonds2

About 4,5-diphenylthieno[2,3-c]pyran-7-one

4,5-diphenylthieno[2,3-c]pyran-7-one (PubChem CID 42639703) has the molecular formula C19H12O2S and a molecular weight of 304.37 g/mol. Its IUPAC name is 4,5-diphenylthieno[2,3-c]pyran-7-one.

Molecular Properties

Compound Name4,5-diphenylthieno[2,3-c]pyran-7-one
PubChem CID42639703
Molecular FormulaC19H12O2S
Molecular Weight304.37 g/mol
Exact Mass304.06
IUPAC Name4,5-diphenylthieno[2,3-c]pyran-7-one
SMILESO=c1oc(-c2ccccc2)c(-c2ccccc2)c2ccsc12
InChIInChI=1S/C19H12O2S/c20-19-18-15(11-12-22-18)16(13-7-3-1-4-8-13)17(21-19)14-9-5-2-6-10-14/h1-12H
InChIKeyYUNMQZIHAOLFBH-UHFFFAOYSA-N
XLogP5.19
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.37
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-diphenylthieno[2,3-c]pyran-7-one?
The IUPAC name of 4,5-diphenylthieno[2,3-c]pyran-7-one (CID 42639703) is 4,5-diphenylthieno[2,3-c]pyran-7-one.
What is the SMILES notation for 4,5-diphenylthieno[2,3-c]pyran-7-one?
The canonical SMILES for 4,5-diphenylthieno[2,3-c]pyran-7-one is O=c1oc(-c2ccccc2)c(-c2ccccc2)c2ccsc12.
What is the InChIKey of 4,5-diphenylthieno[2,3-c]pyran-7-one?
The InChIKey is YUNMQZIHAOLFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12O2S/c20-19-18-15(11-12-22-18)16(13-7-3-1-4-8-13)17(21-19)14-9-5-2-6-10-14/h1-12H.
What are the key properties of 4,5-diphenylthieno[2,3-c]pyran-7-one?
4,5-diphenylthieno[2,3-c]pyran-7-one has a molecular weight of 304.37 g/mol, XLogP of 5.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diphenylthieno[2,3-c]pyran-7-one is sourced from PubChem (CID 42639703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).