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

C48H36N4O3 — CID 144553631

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

8-[6-[6-[8-([1]benzofuro[3,2-b]pyridin-8-yl)dibenzofuran-2-yl]-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine;ethane (PubChem CID 144553631) has the molecular formula C48H36N4O3 and a molecular weight of 716.84 g/mol. Its IUPAC name is 8-[6-[6-[8-([1]benzofuro[3,2-b]pyridin-8-yl)dibenzofuran-2-yl]-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine;ethane.

Molecular Properties

• Compound Name: 8-[6-[6-[8-([1]benzofuro[3,2-b]pyridin-8-yl)dibenzofuran-2-yl]-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine;ethane
• PubChem CID: 144553631
• Molecular Formula: C48H36N4O3
• Molecular Weight: 716.84 g/mol
• Exact Mass: 716.28
• IUPAC Name: 8-[6-[6-[8-([1]benzofuro[3,2-b]pyridin-8-yl)dibenzofuran-2-yl]-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine;ethane
• SMILES: CC.CC.c1cc(-c2ccc3oc4ccc(-c5ccc6oc7cccnc7c6c5)cc4c3c2)nc(-c2cccc(-c3ccc4oc5cccnc5c4c3)n2)c1
• InChI: InChI=1S/C44H24N4O3.2C2H6/c1-5-33(47-35(7-1)36-8-2-6-34(48-36)28-14-18-40-32(24-28)44-42(51-40)10-4-20-46-44)27-13-17-38-30(23-27)29-21-25(11-15-37(29)49-38)26-12-16-39-31(22-26)43-41(50-39)9-3-19-45-43;2*1-2/h1-24H;2*1-2H3
• InChIKey: IBETUSSOXKZNSJ-UHFFFAOYSA-N
• XLogP: 13.69
• TPSA: 90.98 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	716.84
LogP ≤ 5	13.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 8-[6-[6-[8-([1]benzofuro[3,2-b]pyridin-8-yl)dibenzofuran-2-yl]-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine;ethane (CID 144553631) is 8-[6-[6-[8-([1]benzofuro[3,2-b]pyridin-8-yl)dibenzofuran-2-yl]-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine;ethane.

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

The canonical SMILES for 8-[6-[6-[8-([1]benzofuro[3,2-b]pyridin-8-yl)dibenzofuran-2-yl]-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine;ethane is CC.CC.c1cc(-c2ccc3oc4ccc(-c5ccc6oc7cccnc7c6c5)cc4c3c2)nc(-c2cccc(-c3ccc4oc5cccnc5c4c3)n2)c1.

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

The InChIKey is IBETUSSOXKZNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H24N4O3.2C2H6/c1-5-33(47-35(7-1)36-8-2-6-34(48-36)28-14-18-40-32(24-28)44-42(51-40)10-4-20-46-44)27-13-17-38-30(23-27)29-21-25(11-15-37(29)49-38)26-12-16-39-31(22-26)43-41(50-39)9-3-19-45-43;2*1-2/h1-24H;2*1-2H3.

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

8-[6-[6-[8-([1]benzofuro[3,2-b]pyridin-8-yl)dibenzofuran-2-yl]-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine;ethane has a molecular weight of 716.84 g/mol, XLogP of 13.69, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[6-[6-[8-([1]benzofuro[3,2-b]pyridin-8-yl)dibenzofuran-2-yl]-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine;ethane is sourced from PubChem (CID 144553631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).