4-[3-[4-([1]benzofuro[3,2-b]pyridin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine

C34H20N2O2 — CID 142336353

About 4-[3-[4-([1]benzofuro[3,2-b]pyridin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine

4-[3-[4-([1]benzofuro[3,2-b]pyridin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine (PubChem CID 142336353) has the molecular formula C34H20N2O2 and a molecular weight of 488.55 g/mol. Its IUPAC name is 4-[3-[4-([1]benzofuro[3,2-b]pyridin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

• Compound Name: 4-[3-[4-([1]benzofuro[3,2-b]pyridin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
• PubChem CID: 142336353
• Molecular Formula: C34H20N2O2
• Molecular Weight: 488.55 g/mol
• Exact Mass: 488.15
• IUPAC Name: 4-[3-[4-([1]benzofuro[3,2-b]pyridin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
• SMILES: c1cc(-c2ccc(-c3ccnc4c3oc3ccccc34)cc2)cc(-c2ccnc3c2oc2ccccc23)c1
• InChI: InChI=1S/C34H20N2O2/c1-3-10-29-27(8-1)31-33(37-29)25(16-18-35-31)22-14-12-21(13-15-22)23-6-5-7-24(20-23)26-17-19-36-32-28-9-2-4-11-30(28)38-34(26)32/h1-20H
• InChIKey: PGIHMXJXNCYKTR-UHFFFAOYSA-N
• XLogP: 9.28
• TPSA: 52.06 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.55
LogP ≤ 5	9.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 4-[3-[4-([1]benzofuro[3,2-b]pyridin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine (CID 142336353) is 4-[3-[4-([1]benzofuro[3,2-b]pyridin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine.

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

The canonical SMILES for 4-[3-[4-([1]benzofuro[3,2-b]pyridin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine is c1cc(-c2ccc(-c3ccnc4c3oc3ccccc34)cc2)cc(-c2ccnc3c2oc2ccccc23)c1.

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

The InChIKey is PGIHMXJXNCYKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20N2O2/c1-3-10-29-27(8-1)31-33(37-29)25(16-18-35-31)22-14-12-21(13-15-22)23-6-5-7-24(20-23)26-17-19-36-32-28-9-2-4-11-30(28)38-34(26)32/h1-20H.

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

4-[3-[4-([1]benzofuro[3,2-b]pyridin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine has a molecular weight of 488.55 g/mol, XLogP of 9.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[4-([1]benzofuro[3,2-b]pyridin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 142336353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).