6-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-3-(3-phenylphenyl)-[1]benzofuro[2,3-c]quinoline

C54H34N4O — CID 162256176

About 6-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-3-(3-phenylphenyl)-[1]benzofuro[2,3-c]quinoline

6-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-3-(3-phenylphenyl)-[1]benzofuro[2,3-c]quinoline (PubChem CID 162256176) has the molecular formula C54H34N4O and a molecular weight of 754.89 g/mol. Its IUPAC name is 6-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-3-(3-phenylphenyl)-[1]benzofuro[2,3-c]quinoline.

Molecular Properties

• Compound Name: 6-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-3-(3-phenylphenyl)-[1]benzofuro[2,3-c]quinoline
• PubChem CID: 162256176
• Molecular Formula: C54H34N4O
• Molecular Weight: 754.89 g/mol
• Exact Mass: 754.27
• IUPAC Name: 6-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-3-(3-phenylphenyl)-[1]benzofuro[2,3-c]quinoline
• SMILES: c1ccc(-c2cccc(-c3ccc4c(c3)nc(-c3cccc(-c5cccc(-c6cc(-c7ccccn7)nc(-c7ccccn7)c6)c5)c3)c3oc5ccccc5c34)c2)cc1
• InChI: InChI=1S/C54H34N4O/c1-2-13-35(14-3-1)36-15-10-17-38(29-36)41-25-26-44-48(32-41)58-53(54-52(44)45-21-4-5-24-51(45)59-54)42-20-12-18-39(31-42)37-16-11-19-40(30-37)43-33-49(46-22-6-8-27-55-46)57-50(34-43)47-23-7-9-28-56-47/h1-34H
• InChIKey: KRIZODQBSIFZHJ-UHFFFAOYSA-N
• XLogP: 13.99
• TPSA: 64.70 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	754.89
LogP ≤ 5	13.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-3-(3-phenylphenyl)-[1]benzofuro[2,3-c]quinoline?

The IUPAC name of 6-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-3-(3-phenylphenyl)-[1]benzofuro[2,3-c]quinoline (CID 162256176) is 6-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-3-(3-phenylphenyl)-[1]benzofuro[2,3-c]quinoline.

What is the SMILES notation for 6-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-3-(3-phenylphenyl)-[1]benzofuro[2,3-c]quinoline?

The canonical SMILES for 6-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-3-(3-phenylphenyl)-[1]benzofuro[2,3-c]quinoline is c1ccc(-c2cccc(-c3ccc4c(c3)nc(-c3cccc(-c5cccc(-c6cc(-c7ccccn7)nc(-c7ccccn7)c6)c5)c3)c3oc5ccccc5c34)c2)cc1.

What is the InChIKey of 6-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-3-(3-phenylphenyl)-[1]benzofuro[2,3-c]quinoline?

The InChIKey is KRIZODQBSIFZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N4O/c1-2-13-35(14-3-1)36-15-10-17-38(29-36)41-25-26-44-48(32-41)58-53(54-52(44)45-21-4-5-24-51(45)59-54)42-20-12-18-39(31-42)37-16-11-19-40(30-37)43-33-49(46-22-6-8-27-55-46)57-50(34-43)47-23-7-9-28-56-47/h1-34H.

What are the key properties of 6-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-3-(3-phenylphenyl)-[1]benzofuro[2,3-c]quinoline?

6-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-3-(3-phenylphenyl)-[1]benzofuro[2,3-c]quinoline has a molecular weight of 754.89 g/mol, XLogP of 13.99, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-3-(3-phenylphenyl)-[1]benzofuro[2,3-c]quinoline is sourced from PubChem (CID 162256176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).