8-(6-pyridin-2-yl-3-pyridinyl)-4-[4-[8-(6-pyridin-2-yl-3-pyridinyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine

C48H28N6O2 — CID 142336319

About 8-(6-pyridin-2-yl-3-pyridinyl)-4-[4-[8-(6-pyridin-2-yl-3-pyridinyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine

8-(6-pyridin-2-yl-3-pyridinyl)-4-[4-[8-(6-pyridin-2-yl-3-pyridinyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine (PubChem CID 142336319) has the molecular formula C48H28N6O2 and a molecular weight of 720.79 g/mol. Its IUPAC name is 8-(6-pyridin-2-yl-3-pyridinyl)-4-[4-[8-(6-pyridin-2-yl-3-pyridinyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

• Compound Name: 8-(6-pyridin-2-yl-3-pyridinyl)-4-[4-[8-(6-pyridin-2-yl-3-pyridinyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
• PubChem CID: 142336319
• Molecular Formula: C48H28N6O2
• Molecular Weight: 720.79 g/mol
• Exact Mass: 720.23
• IUPAC Name: 8-(6-pyridin-2-yl-3-pyridinyl)-4-[4-[8-(6-pyridin-2-yl-3-pyridinyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
• SMILES: c1ccc(-c2ccc(-c3ccc4oc5c(-c6ccc(-c7ccnc8c7oc7ccc(-c9ccc(-c%10ccccn%10)nc9)cc78)cc6)ccnc5c4c3)cn2)nc1
• InChI: InChI=1S/C48H28N6O2/c1-3-21-49-39(5-1)41-15-11-33(27-53-41)31-13-17-43-37(25-31)45-47(55-43)35(19-23-51-45)29-7-9-30(10-8-29)36-20-24-52-46-38-26-32(14-18-44(38)56-48(36)46)34-12-16-42(54-28-34)40-6-2-4-22-50-40/h1-28H
• InChIKey: RZDIKEAAUXMSHF-UHFFFAOYSA-N
• XLogP: 11.86
• TPSA: 103.62 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	720.79
LogP ≤ 5	11.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 8-(6-pyridin-2-yl-3-pyridinyl)-4-[4-[8-(6-pyridin-2-yl-3-pyridinyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine?

The IUPAC name of 8-(6-pyridin-2-yl-3-pyridinyl)-4-[4-[8-(6-pyridin-2-yl-3-pyridinyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine (CID 142336319) is 8-(6-pyridin-2-yl-3-pyridinyl)-4-[4-[8-(6-pyridin-2-yl-3-pyridinyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine.

What is the SMILES notation for 8-(6-pyridin-2-yl-3-pyridinyl)-4-[4-[8-(6-pyridin-2-yl-3-pyridinyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine?

The canonical SMILES for 8-(6-pyridin-2-yl-3-pyridinyl)-4-[4-[8-(6-pyridin-2-yl-3-pyridinyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine is c1ccc(-c2ccc(-c3ccc4oc5c(-c6ccc(-c7ccnc8c7oc7ccc(-c9ccc(-c%10ccccn%10)nc9)cc78)cc6)ccnc5c4c3)cn2)nc1.

What is the InChIKey of 8-(6-pyridin-2-yl-3-pyridinyl)-4-[4-[8-(6-pyridin-2-yl-3-pyridinyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine?

The InChIKey is RZDIKEAAUXMSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N6O2/c1-3-21-49-39(5-1)41-15-11-33(27-53-41)31-13-17-43-37(25-31)45-47(55-43)35(19-23-51-45)29-7-9-30(10-8-29)36-20-24-52-46-38-26-32(14-18-44(38)56-48(36)46)34-12-16-42(54-28-34)40-6-2-4-22-50-40/h1-28H.

What are the key properties of 8-(6-pyridin-2-yl-3-pyridinyl)-4-[4-[8-(6-pyridin-2-yl-3-pyridinyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine?

8-(6-pyridin-2-yl-3-pyridinyl)-4-[4-[8-(6-pyridin-2-yl-3-pyridinyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine has a molecular weight of 720.79 g/mol, XLogP of 11.86, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(6-pyridin-2-yl-3-pyridinyl)-4-[4-[8-(6-pyridin-2-yl-3-pyridinyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 142336319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).