8-[3-[3-[3-[3-([1]benzofuro[3,2-c]pyridin-8-yl)phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]pyridine

C46H28N2O2 — CID 90265596

About 8-[3-[3-[3-[3-([1]benzofuro[3,2-c]pyridin-8-yl)phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]pyridine

8-[3-[3-[3-[3-([1]benzofuro[3,2-c]pyridin-8-yl)phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]pyridine (PubChem CID 90265596) has the molecular formula C46H28N2O2 and a molecular weight of 640.74 g/mol. Its IUPAC name is 8-[3-[3-[3-[3-([1]benzofuro[3,2-c]pyridin-8-yl)phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]pyridine.

Molecular Properties

• Compound Name: 8-[3-[3-[3-[3-([1]benzofuro[3,2-c]pyridin-8-yl)phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]pyridine
• PubChem CID: 90265596
• Molecular Formula: C46H28N2O2
• Molecular Weight: 640.74 g/mol
• Exact Mass: 640.22
• IUPAC Name: 8-[3-[3-[3-[3-([1]benzofuro[3,2-c]pyridin-8-yl)phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]pyridine
• SMILES: c1cc(-c2cccc(-c3cccc(-c4ccc5oc6ccncc6c5c4)c3)c2)cc(-c2cccc(-c3ccc4oc5ccncc5c4c3)c2)c1
• InChI: InChI=1S/C46H28N2O2/c1-5-29(21-31(7-1)33-9-3-11-35(23-33)37-13-15-43-39(25-37)41-27-47-19-17-45(41)49-43)30-6-2-8-32(22-30)34-10-4-12-36(24-34)38-14-16-44-40(26-38)42-28-48-20-18-46(42)50-44/h1-28H
• InChIKey: XXEYNBYGBNGQEF-UHFFFAOYSA-N
• XLogP: 12.61
• TPSA: 52.06 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	640.74
LogP ≤ 5	12.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 8-[3-[3-[3-[3-([1]benzofuro[3,2-c]pyridin-8-yl)phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]pyridine?

The IUPAC name of 8-[3-[3-[3-[3-([1]benzofuro[3,2-c]pyridin-8-yl)phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]pyridine (CID 90265596) is 8-[3-[3-[3-[3-([1]benzofuro[3,2-c]pyridin-8-yl)phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]pyridine.

What is the SMILES notation for 8-[3-[3-[3-[3-([1]benzofuro[3,2-c]pyridin-8-yl)phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]pyridine?

The canonical SMILES for 8-[3-[3-[3-[3-([1]benzofuro[3,2-c]pyridin-8-yl)phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]pyridine is c1cc(-c2cccc(-c3cccc(-c4ccc5oc6ccncc6c5c4)c3)c2)cc(-c2cccc(-c3ccc4oc5ccncc5c4c3)c2)c1.

What is the InChIKey of 8-[3-[3-[3-[3-([1]benzofuro[3,2-c]pyridin-8-yl)phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]pyridine?

The InChIKey is XXEYNBYGBNGQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N2O2/c1-5-29(21-31(7-1)33-9-3-11-35(23-33)37-13-15-43-39(25-37)41-27-47-19-17-45(41)49-43)30-6-2-8-32(22-30)34-10-4-12-36(24-34)38-14-16-44-40(26-38)42-28-48-20-18-46(42)50-44/h1-28H.

What are the key properties of 8-[3-[3-[3-[3-([1]benzofuro[3,2-c]pyridin-8-yl)phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]pyridine?

8-[3-[3-[3-[3-([1]benzofuro[3,2-c]pyridin-8-yl)phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]pyridine has a molecular weight of 640.74 g/mol, XLogP of 12.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[3-[3-[3-[3-([1]benzofuro[3,2-c]pyridin-8-yl)phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]pyridine is sourced from PubChem (CID 90265596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).