8-[3-[3-[3-[3-[3-(5-phenylpyrido[3,2-b]indol-8-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine

C58H37N3O — CID 90265556

About 8-[3-[3-[3-[3-[3-(5-phenylpyrido[3,2-b]indol-8-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine

8-[3-[3-[3-[3-[3-(5-phenylpyrido[3,2-b]indol-8-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine (PubChem CID 90265556) has the molecular formula C58H37N3O and a molecular weight of 791.95 g/mol. Its IUPAC name is 8-[3-[3-[3-[3-[3-(5-phenylpyrido[3,2-b]indol-8-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

• Compound Name: 8-[3-[3-[3-[3-[3-(5-phenylpyrido[3,2-b]indol-8-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
• PubChem CID: 90265556
• Molecular Formula: C58H37N3O
• Molecular Weight: 791.95 g/mol
• Exact Mass: 791.29
• IUPAC Name: 8-[3-[3-[3-[3-[3-(5-phenylpyrido[3,2-b]indol-8-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
• SMILES: c1ccc(-n2c3ccc(-c4cccc(-c5cccc(-c6cccc(-c7cccc(-c8cccc(-c9ccc%10oc%11cccnc%11c%10c9)c8)c7)c6)c5)c4)cc3c3ncccc32)cc1
• InChI: InChI=1S/C58H37N3O/c1-2-21-50(22-3-1)61-53-27-25-48(36-51(53)57-54(61)23-9-29-59-57)46-19-7-17-44(34-46)42-15-5-13-40(32-42)38-11-4-12-39(31-38)41-14-6-16-43(33-41)45-18-8-20-47(35-45)49-26-28-55-52(37-49)58-56(62-55)24-10-30-60-58/h1-37H
• InChIKey: BCOXAHQIFKAMPS-UHFFFAOYSA-N
• XLogP: 15.48
• TPSA: 43.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	791.95
LogP ≤ 5	15.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 8-[3-[3-[3-[3-[3-(5-phenylpyrido[3,2-b]indol-8-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine?

The IUPAC name of 8-[3-[3-[3-[3-[3-(5-phenylpyrido[3,2-b]indol-8-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine (CID 90265556) is 8-[3-[3-[3-[3-[3-(5-phenylpyrido[3,2-b]indol-8-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine.

What is the SMILES notation for 8-[3-[3-[3-[3-[3-(5-phenylpyrido[3,2-b]indol-8-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine?

The canonical SMILES for 8-[3-[3-[3-[3-[3-(5-phenylpyrido[3,2-b]indol-8-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine is c1ccc(-n2c3ccc(-c4cccc(-c5cccc(-c6cccc(-c7cccc(-c8cccc(-c9ccc%10oc%11cccnc%11c%10c9)c8)c7)c6)c5)c4)cc3c3ncccc32)cc1.

What is the InChIKey of 8-[3-[3-[3-[3-[3-(5-phenylpyrido[3,2-b]indol-8-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine?

The InChIKey is BCOXAHQIFKAMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37N3O/c1-2-21-50(22-3-1)61-53-27-25-48(36-51(53)57-54(61)23-9-29-59-57)46-19-7-17-44(34-46)42-15-5-13-40(32-42)38-11-4-12-39(31-38)41-14-6-16-43(33-41)45-18-8-20-47(35-45)49-26-28-55-52(37-49)58-56(62-55)24-10-30-60-58/h1-37H.

What are the key properties of 8-[3-[3-[3-[3-[3-(5-phenylpyrido[3,2-b]indol-8-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine?

8-[3-[3-[3-[3-[3-(5-phenylpyrido[3,2-b]indol-8-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine has a molecular weight of 791.95 g/mol, XLogP of 15.48, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[3-[3-[3-[3-[3-(5-phenylpyrido[3,2-b]indol-8-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 90265556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).