8-[2-(4-tert-butylphenyl)thieno[3,2-c]pyridin-6-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine

C29H24N2OS — CID 155626002

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

8-[2-(4-tert-butylphenyl)thieno[3,2-c]pyridin-6-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine (PubChem CID 155626002) has the molecular formula C29H24N2OS and a molecular weight of 448.59 g/mol. Its IUPAC name is 8-[2-(4-tert-butylphenyl)thieno[3,2-c]pyridin-6-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

• Compound Name: 8-[2-(4-tert-butylphenyl)thieno[3,2-c]pyridin-6-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine
• PubChem CID: 155626002
• Molecular Formula: C29H24N2OS
• Molecular Weight: 448.59 g/mol
• Exact Mass: 448.16
• IUPAC Name: 8-[2-(4-tert-butylphenyl)thieno[3,2-c]pyridin-6-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine
• SMILES: Cc1ccc2c(n1)oc1c(-c3cc4sc(-c5ccc(C(C)(C)C)cc5)cc4cn3)cccc12
• InChI: InChI=1S/C29H24N2OS/c1-17-8-13-22-21-6-5-7-23(27(21)32-28(22)31-17)24-15-26-19(16-30-24)14-25(33-26)18-9-11-20(12-10-18)29(2,3)4/h5-16H,1-4H3
• InChIKey: QRQAMKUZXDWKSY-UHFFFAOYSA-N
• XLogP: 8.53
• TPSA: 38.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	448.59
LogP ≤ 5	8.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 8-[2-(4-tert-butylphenyl)thieno[3,2-c]pyridin-6-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine (CID 155626002) is 8-[2-(4-tert-butylphenyl)thieno[3,2-c]pyridin-6-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine.

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

The canonical SMILES for 8-[2-(4-tert-butylphenyl)thieno[3,2-c]pyridin-6-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine is Cc1ccc2c(n1)oc1c(-c3cc4sc(-c5ccc(C(C)(C)C)cc5)cc4cn3)cccc12.

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

The InChIKey is QRQAMKUZXDWKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N2OS/c1-17-8-13-22-21-6-5-7-23(27(21)32-28(22)31-17)24-15-26-19(16-30-24)14-25(33-26)18-9-11-20(12-10-18)29(2,3)4/h5-16H,1-4H3.

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

8-[2-(4-tert-butylphenyl)thieno[3,2-c]pyridin-6-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine has a molecular weight of 448.59 g/mol, XLogP of 8.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[2-(4-tert-butylphenyl)thieno[3,2-c]pyridin-6-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 155626002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).