8-[2-[4-(2,6-dimethylphenyl)phenyl]thieno[2,3-b]pyridin-6-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine

C33H24N2OS — CID 155628896

About 8-[2-[4-(2,6-dimethylphenyl)phenyl]thieno[2,3-b]pyridin-6-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine

8-[2-[4-(2,6-dimethylphenyl)phenyl]thieno[2,3-b]pyridin-6-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine (PubChem CID 155628896) has the molecular formula C33H24N2OS and a molecular weight of 496.64 g/mol. Its IUPAC name is 8-[2-[4-(2,6-dimethylphenyl)phenyl]thieno[2,3-b]pyridin-6-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

• Compound Name: 8-[2-[4-(2,6-dimethylphenyl)phenyl]thieno[2,3-b]pyridin-6-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine
• PubChem CID: 155628896
• Molecular Formula: C33H24N2OS
• Molecular Weight: 496.64 g/mol
• Exact Mass: 496.16
• IUPAC Name: 8-[2-[4-(2,6-dimethylphenyl)phenyl]thieno[2,3-b]pyridin-6-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine
• SMILES: Cc1ccc2c(n1)oc1c(-c3ccc4cc(-c5ccc(-c6c(C)cccc6C)cc5)sc4n3)cccc12
• InChI: InChI=1S/C33H24N2OS/c1-19-6-4-7-20(2)30(19)23-13-11-22(12-14-23)29-18-24-15-17-28(35-33(24)37-29)27-9-5-8-25-26-16-10-21(3)34-32(26)36-31(25)27/h4-18H,1-3H3
• InChIKey: YSDLNKOBJKPOSM-UHFFFAOYSA-N
• XLogP: 9.52
• TPSA: 38.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.64
LogP ≤ 5	9.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 8-[2-[4-(2,6-dimethylphenyl)phenyl]thieno[2,3-b]pyridin-6-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine?

The IUPAC name of 8-[2-[4-(2,6-dimethylphenyl)phenyl]thieno[2,3-b]pyridin-6-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine (CID 155628896) is 8-[2-[4-(2,6-dimethylphenyl)phenyl]thieno[2,3-b]pyridin-6-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine.

What is the SMILES notation for 8-[2-[4-(2,6-dimethylphenyl)phenyl]thieno[2,3-b]pyridin-6-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine?

The canonical SMILES for 8-[2-[4-(2,6-dimethylphenyl)phenyl]thieno[2,3-b]pyridin-6-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine is Cc1ccc2c(n1)oc1c(-c3ccc4cc(-c5ccc(-c6c(C)cccc6C)cc5)sc4n3)cccc12.

What is the InChIKey of 8-[2-[4-(2,6-dimethylphenyl)phenyl]thieno[2,3-b]pyridin-6-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine?

The InChIKey is YSDLNKOBJKPOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24N2OS/c1-19-6-4-7-20(2)30(19)23-13-11-22(12-14-23)29-18-24-15-17-28(35-33(24)37-29)27-9-5-8-25-26-16-10-21(3)34-32(26)36-31(25)27/h4-18H,1-3H3.

What are the key properties of 8-[2-[4-(2,6-dimethylphenyl)phenyl]thieno[2,3-b]pyridin-6-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine?

8-[2-[4-(2,6-dimethylphenyl)phenyl]thieno[2,3-b]pyridin-6-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine has a molecular weight of 496.64 g/mol, XLogP of 9.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[2-[4-(2,6-dimethylphenyl)phenyl]thieno[2,3-b]pyridin-6-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 155628896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).