4,5-diphenyl-6H-thieno[2,3-c]pyridin-7-one

C19H13NOS — CID 102197675

IUPAC4,5-diphenyl-6H-thieno[2,3-c]pyridin-7-one
SMILESO=c1[nH]c(-c2ccccc2)c(-c2ccccc2)c2ccsc12
InChIInChI=1S/C19H13NOS/c21-19-18-15(11-12-22-18)16(13-7-3-1-4-8-13)17(20-19)14-9-5-2-6-10-14/h1-12H,(H,20,21)
InChIKeyYVIWVYBDWZWWQA-UHFFFAOYSA-N
MW303.39 g/mol
LogP4.92
Rot. Bonds2

About 4,5-diphenyl-6H-thieno[2,3-c]pyridin-7-one

4,5-diphenyl-6H-thieno[2,3-c]pyridin-7-one (PubChem CID 102197675) has the molecular formula C19H13NOS and a molecular weight of 303.39 g/mol. Its IUPAC name is 4,5-diphenyl-6H-thieno[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name4,5-diphenyl-6H-thieno[2,3-c]pyridin-7-one
PubChem CID102197675
Molecular FormulaC19H13NOS
Molecular Weight303.39 g/mol
Exact Mass303.07
IUPAC Name4,5-diphenyl-6H-thieno[2,3-c]pyridin-7-one
SMILESO=c1[nH]c(-c2ccccc2)c(-c2ccccc2)c2ccsc12
InChIInChI=1S/C19H13NOS/c21-19-18-15(11-12-22-18)16(13-7-3-1-4-8-13)17(20-19)14-9-5-2-6-10-14/h1-12H,(H,20,21)
InChIKeyYVIWVYBDWZWWQA-UHFFFAOYSA-N
XLogP4.92
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-diphenyl-6H-thieno[2,3-c]pyridin-7-one?
The IUPAC name of 4,5-diphenyl-6H-thieno[2,3-c]pyridin-7-one (CID 102197675) is 4,5-diphenyl-6H-thieno[2,3-c]pyridin-7-one.
What is the SMILES notation for 4,5-diphenyl-6H-thieno[2,3-c]pyridin-7-one?
The canonical SMILES for 4,5-diphenyl-6H-thieno[2,3-c]pyridin-7-one is O=c1[nH]c(-c2ccccc2)c(-c2ccccc2)c2ccsc12.
What is the InChIKey of 4,5-diphenyl-6H-thieno[2,3-c]pyridin-7-one?
The InChIKey is YVIWVYBDWZWWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NOS/c21-19-18-15(11-12-22-18)16(13-7-3-1-4-8-13)17(20-19)14-9-5-2-6-10-14/h1-12H,(H,20,21).
What are the key properties of 4,5-diphenyl-6H-thieno[2,3-c]pyridin-7-one?
4,5-diphenyl-6H-thieno[2,3-c]pyridin-7-one has a molecular weight of 303.39 g/mol, XLogP of 4.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diphenyl-6H-thieno[2,3-c]pyridin-7-one is sourced from PubChem (CID 102197675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).