8-pyrido[3,2-b]indol-5-yl-5-[6-(8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indol-5-yl)dibenzofuran-2-yl]pyrido[3,2-b]indole

C56H32N8O — CID 118517432

About 8-pyrido[3,2-b]indol-5-yl-5-[6-(8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indol-5-yl)dibenzofuran-2-yl]pyrido[3,2-b]indole

8-pyrido[3,2-b]indol-5-yl-5-[6-(8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indol-5-yl)dibenzofuran-2-yl]pyrido[3,2-b]indole (PubChem CID 118517432) has the molecular formula C56H32N8O and a molecular weight of 832.93 g/mol. Its IUPAC name is 8-pyrido[3,2-b]indol-5-yl-5-[6-(8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indol-5-yl)dibenzofuran-2-yl]pyrido[3,2-b]indole.

Molecular Properties

• Compound Name: 8-pyrido[3,2-b]indol-5-yl-5-[6-(8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indol-5-yl)dibenzofuran-2-yl]pyrido[3,2-b]indole
• PubChem CID: 118517432
• Molecular Formula: C56H32N8O
• Molecular Weight: 832.93 g/mol
• Exact Mass: 832.27
• IUPAC Name: 8-pyrido[3,2-b]indol-5-yl-5-[6-(8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indol-5-yl)dibenzofuran-2-yl]pyrido[3,2-b]indole
• SMILES: c1cc(-n2c3ccc(-n4c5ccccc5c5ncccc54)cc3c3ncccc32)c2oc3ccc(-n4c5ccc(-n6c7ccccc7c7ncccc76)cc5c5ncccc54)cc3c2c1
• InChI: InChI=1S/C56H32N8O/c1-3-13-42-37(10-1)52-46(16-6-26-57-52)61(42)33-20-23-44-40(31-33)54-48(18-8-28-59-54)63(44)35-22-25-51-39(30-35)36-12-5-15-50(56(36)65-51)64-45-24-21-34(32-41(45)55-49(64)19-9-29-60-55)62-43-14-4-2-11-38(43)53-47(62)17-7-27-58-53/h1-32H
• InChIKey: RGIYRKJGLAGYRK-UHFFFAOYSA-N
• XLogP: 13.55
• TPSA: 84.42 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	832.93
LogP ≤ 5	13.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 8-pyrido[3,2-b]indol-5-yl-5-[6-(8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indol-5-yl)dibenzofuran-2-yl]pyrido[3,2-b]indole?

The IUPAC name of 8-pyrido[3,2-b]indol-5-yl-5-[6-(8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indol-5-yl)dibenzofuran-2-yl]pyrido[3,2-b]indole (CID 118517432) is 8-pyrido[3,2-b]indol-5-yl-5-[6-(8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indol-5-yl)dibenzofuran-2-yl]pyrido[3,2-b]indole.

What is the SMILES notation for 8-pyrido[3,2-b]indol-5-yl-5-[6-(8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indol-5-yl)dibenzofuran-2-yl]pyrido[3,2-b]indole?

The canonical SMILES for 8-pyrido[3,2-b]indol-5-yl-5-[6-(8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indol-5-yl)dibenzofuran-2-yl]pyrido[3,2-b]indole is c1cc(-n2c3ccc(-n4c5ccccc5c5ncccc54)cc3c3ncccc32)c2oc3ccc(-n4c5ccc(-n6c7ccccc7c7ncccc76)cc5c5ncccc54)cc3c2c1.

What is the InChIKey of 8-pyrido[3,2-b]indol-5-yl-5-[6-(8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indol-5-yl)dibenzofuran-2-yl]pyrido[3,2-b]indole?

The InChIKey is RGIYRKJGLAGYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H32N8O/c1-3-13-42-37(10-1)52-46(16-6-26-57-52)61(42)33-20-23-44-40(31-33)54-48(18-8-28-59-54)63(44)35-22-25-51-39(30-35)36-12-5-15-50(56(36)65-51)64-45-24-21-34(32-41(45)55-49(64)19-9-29-60-55)62-43-14-4-2-11-38(43)53-47(62)17-7-27-58-53/h1-32H.

What are the key properties of 8-pyrido[3,2-b]indol-5-yl-5-[6-(8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indol-5-yl)dibenzofuran-2-yl]pyrido[3,2-b]indole?

8-pyrido[3,2-b]indol-5-yl-5-[6-(8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indol-5-yl)dibenzofuran-2-yl]pyrido[3,2-b]indole has a molecular weight of 832.93 g/mol, XLogP of 13.55, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 8-pyrido[3,2-b]indol-5-yl-5-[6-(8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indol-5-yl)dibenzofuran-2-yl]pyrido[3,2-b]indole is sourced from PubChem (CID 118517432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).