8-[2-(2,6-dimethylphenyl)thieno[2,3-b]pyridin-6-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine

C27H20N2OS — CID 155629009

About 8-[2-(2,6-dimethylphenyl)thieno[2,3-b]pyridin-6-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine

8-[2-(2,6-dimethylphenyl)thieno[2,3-b]pyridin-6-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine (PubChem CID 155629009) has the molecular formula C27H20N2OS and a molecular weight of 420.54 g/mol. Its IUPAC name is 8-[2-(2,6-dimethylphenyl)thieno[2,3-b]pyridin-6-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

• Compound Name: 8-[2-(2,6-dimethylphenyl)thieno[2,3-b]pyridin-6-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine
• PubChem CID: 155629009
• Molecular Formula: C27H20N2OS
• Molecular Weight: 420.54 g/mol
• Exact Mass: 420.13
• IUPAC Name: 8-[2-(2,6-dimethylphenyl)thieno[2,3-b]pyridin-6-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine
• SMILES: Cc1ccc2c(n1)oc1c(-c3ccc4cc(-c5c(C)cccc5C)sc4n3)cccc12
• InChI: InChI=1S/C27H20N2OS/c1-15-6-4-7-16(2)24(15)23-14-18-11-13-22(29-27(18)31-23)21-9-5-8-19-20-12-10-17(3)28-26(20)30-25(19)21/h4-14H,1-3H3
• InChIKey: VPTFHGNDSYZAOF-UHFFFAOYSA-N
• XLogP: 7.85
• TPSA: 38.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	420.54
LogP ≤ 5	7.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 8-[2-(2,6-dimethylphenyl)thieno[2,3-b]pyridin-6-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine?

The IUPAC name of 8-[2-(2,6-dimethylphenyl)thieno[2,3-b]pyridin-6-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine (CID 155629009) is 8-[2-(2,6-dimethylphenyl)thieno[2,3-b]pyridin-6-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine.

What is the SMILES notation for 8-[2-(2,6-dimethylphenyl)thieno[2,3-b]pyridin-6-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine?

The canonical SMILES for 8-[2-(2,6-dimethylphenyl)thieno[2,3-b]pyridin-6-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine is Cc1ccc2c(n1)oc1c(-c3ccc4cc(-c5c(C)cccc5C)sc4n3)cccc12.

What is the InChIKey of 8-[2-(2,6-dimethylphenyl)thieno[2,3-b]pyridin-6-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine?

The InChIKey is VPTFHGNDSYZAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N2OS/c1-15-6-4-7-16(2)24(15)23-14-18-11-13-22(29-27(18)31-23)21-9-5-8-19-20-12-10-17(3)28-26(20)30-25(19)21/h4-14H,1-3H3.

What are the key properties of 8-[2-(2,6-dimethylphenyl)thieno[2,3-b]pyridin-6-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine?

8-[2-(2,6-dimethylphenyl)thieno[2,3-b]pyridin-6-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine has a molecular weight of 420.54 g/mol, XLogP of 7.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[2-(2,6-dimethylphenyl)thieno[2,3-b]pyridin-6-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 155629009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).