6-[6-[6-[8-([1]benzofuro[2,3-c]pyridin-6-yl)dibenzofuran-2-yl]-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[2,3-c]pyridine

C44H24N4O3 — CID 90250427

About 6-[6-[6-[8-([1]benzofuro[2,3-c]pyridin-6-yl)dibenzofuran-2-yl]-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[2,3-c]pyridine

6-[6-[6-[8-([1]benzofuro[2,3-c]pyridin-6-yl)dibenzofuran-2-yl]-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[2,3-c]pyridine (PubChem CID 90250427) has the molecular formula C44H24N4O3 and a molecular weight of 656.70 g/mol. Its IUPAC name is 6-[6-[6-[8-([1]benzofuro[2,3-c]pyridin-6-yl)dibenzofuran-2-yl]-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[2,3-c]pyridine.

Molecular Properties

• Compound Name: 6-[6-[6-[8-([1]benzofuro[2,3-c]pyridin-6-yl)dibenzofuran-2-yl]-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[2,3-c]pyridine
• PubChem CID: 90250427
• Molecular Formula: C44H24N4O3
• Molecular Weight: 656.70 g/mol
• Exact Mass: 656.18
• IUPAC Name: 6-[6-[6-[8-([1]benzofuro[2,3-c]pyridin-6-yl)dibenzofuran-2-yl]-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[2,3-c]pyridine
• SMILES: c1cc(-c2ccc3oc4cnccc4c3c2)nc(-c2cccc(-c3ccc4oc5ccc(-c6ccc7oc8cnccc8c7c6)cc5c4c3)n2)c1
• InChI: InChI=1S/C44H24N4O3/c1-3-35(27-9-13-40-32(21-27)30-16-18-46-24-44(30)51-40)47-37(5-1)38-6-2-4-36(48-38)28-10-14-42-34(22-28)33-20-26(8-12-41(33)49-42)25-7-11-39-31(19-25)29-15-17-45-23-43(29)50-39/h1-24H
• InChIKey: CXGBIZHZKISIPJ-UHFFFAOYSA-N
• XLogP: 11.63
• TPSA: 90.98 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	656.70
LogP ≤ 5	11.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[6-[6-[8-([1]benzofuro[2,3-c]pyridin-6-yl)dibenzofuran-2-yl]-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[2,3-c]pyridine?

The IUPAC name of 6-[6-[6-[8-([1]benzofuro[2,3-c]pyridin-6-yl)dibenzofuran-2-yl]-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[2,3-c]pyridine (CID 90250427) is 6-[6-[6-[8-([1]benzofuro[2,3-c]pyridin-6-yl)dibenzofuran-2-yl]-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[2,3-c]pyridine.

What is the SMILES notation for 6-[6-[6-[8-([1]benzofuro[2,3-c]pyridin-6-yl)dibenzofuran-2-yl]-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[2,3-c]pyridine?

The canonical SMILES for 6-[6-[6-[8-([1]benzofuro[2,3-c]pyridin-6-yl)dibenzofuran-2-yl]-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[2,3-c]pyridine is c1cc(-c2ccc3oc4cnccc4c3c2)nc(-c2cccc(-c3ccc4oc5ccc(-c6ccc7oc8cnccc8c7c6)cc5c4c3)n2)c1.

What is the InChIKey of 6-[6-[6-[8-([1]benzofuro[2,3-c]pyridin-6-yl)dibenzofuran-2-yl]-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[2,3-c]pyridine?

The InChIKey is CXGBIZHZKISIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H24N4O3/c1-3-35(27-9-13-40-32(21-27)30-16-18-46-24-44(30)51-40)47-37(5-1)38-6-2-4-36(48-38)28-10-14-42-34(22-28)33-20-26(8-12-41(33)49-42)25-7-11-39-31(19-25)29-15-17-45-23-43(29)50-39/h1-24H.

What are the key properties of 6-[6-[6-[8-([1]benzofuro[2,3-c]pyridin-6-yl)dibenzofuran-2-yl]-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[2,3-c]pyridine?

6-[6-[6-[8-([1]benzofuro[2,3-c]pyridin-6-yl)dibenzofuran-2-yl]-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[2,3-c]pyridine has a molecular weight of 656.70 g/mol, XLogP of 11.63, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[6-[6-[8-([1]benzofuro[2,3-c]pyridin-6-yl)dibenzofuran-2-yl]-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[2,3-c]pyridine is sourced from PubChem (CID 90250427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).