6-benzyl-2-methyl-4,5-diphenylthieno[2,3-c]pyridin-7-one

C27H21NOS — CID 139045708

IUPAC6-benzyl-2-methyl-4,5-diphenylthieno[2,3-c]pyridin-7-one
SMILESCc1cc2c(-c3ccccc3)c(-c3ccccc3)n(Cc3ccccc3)c(=O)c2s1
InChIInChI=1S/C27H21NOS/c1-19-17-23-24(21-13-7-3-8-14-21)25(22-15-9-4-10-16-22)28(27(29)26(23)30-19)18-20-11-5-2-6-12-20/h2-17H,18H2,1H3
InChIKeyOLSBVDQUPGEYCD-UHFFFAOYSA-N
MW407.54 g/mol
LogP6.75
Rot. Bonds4

About 6-benzyl-2-methyl-4,5-diphenylthieno[2,3-c]pyridin-7-one

6-benzyl-2-methyl-4,5-diphenylthieno[2,3-c]pyridin-7-one (PubChem CID 139045708) has the molecular formula C27H21NOS and a molecular weight of 407.54 g/mol. Its IUPAC name is 6-benzyl-2-methyl-4,5-diphenylthieno[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name6-benzyl-2-methyl-4,5-diphenylthieno[2,3-c]pyridin-7-one
PubChem CID139045708
Molecular FormulaC27H21NOS
Molecular Weight407.54 g/mol
Exact Mass407.13
IUPAC Name6-benzyl-2-methyl-4,5-diphenylthieno[2,3-c]pyridin-7-one
SMILESCc1cc2c(-c3ccccc3)c(-c3ccccc3)n(Cc3ccccc3)c(=O)c2s1
InChIInChI=1S/C27H21NOS/c1-19-17-23-24(21-13-7-3-8-14-21)25(22-15-9-4-10-16-22)28(27(29)26(23)30-19)18-20-11-5-2-6-12-20/h2-17H,18H2,1H3
InChIKeyOLSBVDQUPGEYCD-UHFFFAOYSA-N
XLogP6.75
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.54
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2-methyl-4,5-diphenylthieno[2,3-c]pyridin-7-one?
The IUPAC name of 6-benzyl-2-methyl-4,5-diphenylthieno[2,3-c]pyridin-7-one (CID 139045708) is 6-benzyl-2-methyl-4,5-diphenylthieno[2,3-c]pyridin-7-one.
What is the SMILES notation for 6-benzyl-2-methyl-4,5-diphenylthieno[2,3-c]pyridin-7-one?
The canonical SMILES for 6-benzyl-2-methyl-4,5-diphenylthieno[2,3-c]pyridin-7-one is Cc1cc2c(-c3ccccc3)c(-c3ccccc3)n(Cc3ccccc3)c(=O)c2s1.
What is the InChIKey of 6-benzyl-2-methyl-4,5-diphenylthieno[2,3-c]pyridin-7-one?
The InChIKey is OLSBVDQUPGEYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21NOS/c1-19-17-23-24(21-13-7-3-8-14-21)25(22-15-9-4-10-16-22)28(27(29)26(23)30-19)18-20-11-5-2-6-12-20/h2-17H,18H2,1H3.
What are the key properties of 6-benzyl-2-methyl-4,5-diphenylthieno[2,3-c]pyridin-7-one?
6-benzyl-2-methyl-4,5-diphenylthieno[2,3-c]pyridin-7-one has a molecular weight of 407.54 g/mol, XLogP of 6.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-2-methyl-4,5-diphenylthieno[2,3-c]pyridin-7-one is sourced from PubChem (CID 139045708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).