8-[3-[4-[3-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine

C43H25N5O2 — CID 90265570

About 8-[3-[4-[3-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine

8-[3-[4-[3-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine (PubChem CID 90265570) has the molecular formula C43H25N5O2 and a molecular weight of 643.71 g/mol. Its IUPAC name is 8-[3-[4-[3-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

• Compound Name: 8-[3-[4-[3-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
• PubChem CID: 90265570
• Molecular Formula: C43H25N5O2
• Molecular Weight: 643.71 g/mol
• Exact Mass: 643.20
• IUPAC Name: 8-[3-[4-[3-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
• SMILES: c1cc(-c2cccc(-c3ncnc(-c4cccc(-c5ccc6oc7cccnc7c6c5)c4)n3)c2)cc(-c2ccc3oc4cccnc4c3c2)c1
• InChI: InChI=1S/C43H25N5O2/c1-6-26(20-27(7-1)30-14-16-36-34(23-30)40-38(49-36)12-4-18-44-40)28-8-2-10-32(21-28)42-46-25-47-43(48-42)33-11-3-9-29(22-33)31-15-17-37-35(24-31)41-39(50-37)13-5-19-45-41/h1-25H
• InChIKey: JZYCEZYAZVPYHJ-UHFFFAOYSA-N
• XLogP: 10.80
• TPSA: 90.73 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	643.71
LogP ≤ 5	10.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 8-[3-[4-[3-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine?

The IUPAC name of 8-[3-[4-[3-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine (CID 90265570) is 8-[3-[4-[3-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine.

What is the SMILES notation for 8-[3-[4-[3-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine?

The canonical SMILES for 8-[3-[4-[3-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine is c1cc(-c2cccc(-c3ncnc(-c4cccc(-c5ccc6oc7cccnc7c6c5)c4)n3)c2)cc(-c2ccc3oc4cccnc4c3c2)c1.

What is the InChIKey of 8-[3-[4-[3-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine?

The InChIKey is JZYCEZYAZVPYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H25N5O2/c1-6-26(20-27(7-1)30-14-16-36-34(23-30)40-38(49-36)12-4-18-44-40)28-8-2-10-32(21-28)42-46-25-47-43(48-42)33-11-3-9-29(22-33)31-15-17-37-35(24-31)41-39(50-37)13-5-19-45-41/h1-25H.

What are the key properties of 8-[3-[4-[3-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine?

8-[3-[4-[3-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine has a molecular weight of 643.71 g/mol, XLogP of 10.80, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[3-[4-[3-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 90265570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).