8-[2-[3,5-di(propan-2-yl)phenyl]thieno[2,3-c]pyridin-5-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine

C31H28N2OS — CID 155626207

About 8-[2-[3,5-di(propan-2-yl)phenyl]thieno[2,3-c]pyridin-5-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine

8-[2-[3,5-di(propan-2-yl)phenyl]thieno[2,3-c]pyridin-5-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine (PubChem CID 155626207) has the molecular formula C31H28N2OS and a molecular weight of 476.65 g/mol. Its IUPAC name is 8-[2-[3,5-di(propan-2-yl)phenyl]thieno[2,3-c]pyridin-5-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

• Compound Name: 8-[2-[3,5-di(propan-2-yl)phenyl]thieno[2,3-c]pyridin-5-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine
• PubChem CID: 155626207
• Molecular Formula: C31H28N2OS
• Molecular Weight: 476.65 g/mol
• Exact Mass: 476.19
• IUPAC Name: 8-[2-[3,5-di(propan-2-yl)phenyl]thieno[2,3-c]pyridin-5-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine
• SMILES: Cc1ccc2c(n1)oc1c(-c3cc4cc(-c5cc(C(C)C)cc(C(C)C)c5)sc4cn3)cccc12
• InChI: InChI=1S/C31H28N2OS/c1-17(2)20-11-21(18(3)4)13-22(12-20)28-15-23-14-27(32-16-29(23)35-28)26-8-6-7-24-25-10-9-19(5)33-31(25)34-30(24)26/h6-18H,1-5H3
• InChIKey: HUPPFRNNBGVNHQ-UHFFFAOYSA-N
• XLogP: 9.48
• TPSA: 38.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.65
LogP ≤ 5	9.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 8-[2-[3,5-di(propan-2-yl)phenyl]thieno[2,3-c]pyridin-5-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine?

The IUPAC name of 8-[2-[3,5-di(propan-2-yl)phenyl]thieno[2,3-c]pyridin-5-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine (CID 155626207) is 8-[2-[3,5-di(propan-2-yl)phenyl]thieno[2,3-c]pyridin-5-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine.

What is the SMILES notation for 8-[2-[3,5-di(propan-2-yl)phenyl]thieno[2,3-c]pyridin-5-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine?

The canonical SMILES for 8-[2-[3,5-di(propan-2-yl)phenyl]thieno[2,3-c]pyridin-5-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine is Cc1ccc2c(n1)oc1c(-c3cc4cc(-c5cc(C(C)C)cc(C(C)C)c5)sc4cn3)cccc12.

What is the InChIKey of 8-[2-[3,5-di(propan-2-yl)phenyl]thieno[2,3-c]pyridin-5-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine?

The InChIKey is HUPPFRNNBGVNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N2OS/c1-17(2)20-11-21(18(3)4)13-22(12-20)28-15-23-14-27(32-16-29(23)35-28)26-8-6-7-24-25-10-9-19(5)33-31(25)34-30(24)26/h6-18H,1-5H3.

What are the key properties of 8-[2-[3,5-di(propan-2-yl)phenyl]thieno[2,3-c]pyridin-5-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine?

8-[2-[3,5-di(propan-2-yl)phenyl]thieno[2,3-c]pyridin-5-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine has a molecular weight of 476.65 g/mol, XLogP of 9.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[2-[3,5-di(propan-2-yl)phenyl]thieno[2,3-c]pyridin-5-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 155626207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).