4-dibenzofuran-4-yl-9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]pyridine

C42H24N4O2 — CID 168785404

About 4-dibenzofuran-4-yl-9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]pyridine

4-dibenzofuran-4-yl-9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]pyridine (PubChem CID 168785404) has the molecular formula C42H24N4O2 and a molecular weight of 616.68 g/mol. Its IUPAC name is 4-dibenzofuran-4-yl-9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

• Compound Name: 4-dibenzofuran-4-yl-9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]pyridine
• PubChem CID: 168785404
• Molecular Formula: C42H24N4O2
• Molecular Weight: 616.68 g/mol
• Exact Mass: 616.19
• IUPAC Name: 4-dibenzofuran-4-yl-9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]pyridine
• SMILES: c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3cccc4oc5c(-c6cccc7c6oc6ccccc67)ccnc5c34)n2)cc1
• InChI: InChI=1S/C42H24N4O2/c1-2-11-26(12-3-1)40-44-41(28-21-20-25-10-4-5-13-27(25)24-28)46-42(45-40)33-17-9-19-35-36(33)37-39(48-35)32(22-23-43-37)31-16-8-15-30-29-14-6-7-18-34(29)47-38(30)31/h1-24H
• InChIKey: XJOUJWAMTHVLGR-UHFFFAOYSA-N
• XLogP: 10.89
• TPSA: 77.84 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	616.68
LogP ≤ 5	10.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-4-yl-9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]pyridine?

The IUPAC name of 4-dibenzofuran-4-yl-9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]pyridine (CID 168785404) is 4-dibenzofuran-4-yl-9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]pyridine.

What is the SMILES notation for 4-dibenzofuran-4-yl-9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]pyridine?

The canonical SMILES for 4-dibenzofuran-4-yl-9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]pyridine is c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3cccc4oc5c(-c6cccc7c6oc6ccccc67)ccnc5c34)n2)cc1.

What is the InChIKey of 4-dibenzofuran-4-yl-9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]pyridine?

The InChIKey is XJOUJWAMTHVLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24N4O2/c1-2-11-26(12-3-1)40-44-41(28-21-20-25-10-4-5-13-27(25)24-28)46-42(45-40)33-17-9-19-35-36(33)37-39(48-35)32(22-23-43-37)31-16-8-15-30-29-14-6-7-18-34(29)47-38(30)31/h1-24H.

What are the key properties of 4-dibenzofuran-4-yl-9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]pyridine?

4-dibenzofuran-4-yl-9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]pyridine has a molecular weight of 616.68 g/mol, XLogP of 10.89, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-dibenzofuran-4-yl-9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 168785404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).