8-[2-[2,6-di(propan-2-yl)phenyl]furo[2,3-c]pyridin-7-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine

C31H28N2O2 — CID 153444925

About 8-[2-[2,6-di(propan-2-yl)phenyl]furo[2,3-c]pyridin-7-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine

8-[2-[2,6-di(propan-2-yl)phenyl]furo[2,3-c]pyridin-7-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine (PubChem CID 153444925) has the molecular formula C31H28N2O2 and a molecular weight of 460.58 g/mol. Its IUPAC name is 8-[2-[2,6-di(propan-2-yl)phenyl]furo[2,3-c]pyridin-7-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

• Compound Name: 8-[2-[2,6-di(propan-2-yl)phenyl]furo[2,3-c]pyridin-7-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine
• PubChem CID: 153444925
• Molecular Formula: C31H28N2O2
• Molecular Weight: 460.58 g/mol
• Exact Mass: 460.22
• IUPAC Name: 8-[2-[2,6-di(propan-2-yl)phenyl]furo[2,3-c]pyridin-7-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine
• SMILES: Cc1ccc2c(n1)oc1c(-c3nccc4cc(-c5c(C(C)C)cccc5C(C)C)oc34)cccc12
• InChI: InChI=1S/C31H28N2O2/c1-17(2)21-8-6-9-22(18(3)4)27(21)26-16-20-14-15-32-28(29(20)34-26)25-11-7-10-23-24-13-12-19(5)33-31(24)35-30(23)25/h6-18H,1-5H3
• InChIKey: IVRPHZVPDDRIQH-UHFFFAOYSA-N
• XLogP: 9.01
• TPSA: 52.06 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	460.58
LogP ≤ 5	9.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 8-[2-[2,6-di(propan-2-yl)phenyl]furo[2,3-c]pyridin-7-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine?

The IUPAC name of 8-[2-[2,6-di(propan-2-yl)phenyl]furo[2,3-c]pyridin-7-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine (CID 153444925) is 8-[2-[2,6-di(propan-2-yl)phenyl]furo[2,3-c]pyridin-7-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine.

What is the SMILES notation for 8-[2-[2,6-di(propan-2-yl)phenyl]furo[2,3-c]pyridin-7-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine?

The canonical SMILES for 8-[2-[2,6-di(propan-2-yl)phenyl]furo[2,3-c]pyridin-7-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine is Cc1ccc2c(n1)oc1c(-c3nccc4cc(-c5c(C(C)C)cccc5C(C)C)oc34)cccc12.

What is the InChIKey of 8-[2-[2,6-di(propan-2-yl)phenyl]furo[2,3-c]pyridin-7-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine?

The InChIKey is IVRPHZVPDDRIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N2O2/c1-17(2)21-8-6-9-22(18(3)4)27(21)26-16-20-14-15-32-28(29(20)34-26)25-11-7-10-23-24-13-12-19(5)33-31(24)35-30(23)25/h6-18H,1-5H3.

What are the key properties of 8-[2-[2,6-di(propan-2-yl)phenyl]furo[2,3-c]pyridin-7-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine?

8-[2-[2,6-di(propan-2-yl)phenyl]furo[2,3-c]pyridin-7-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine has a molecular weight of 460.58 g/mol, XLogP of 9.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[2-[2,6-di(propan-2-yl)phenyl]furo[2,3-c]pyridin-7-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 153444925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).