2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-(6-indolo[1,2-a]benzimidazol-10-yldibenzofuran-1-yl)benzimidazolo[1,2-a]benzimidazole

C52H30N8O — CID 121426997

About 2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-(6-indolo[1,2-a]benzimidazol-10-yldibenzofuran-1-yl)benzimidazolo[1,2-a]benzimidazole

2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-(6-indolo[1,2-a]benzimidazol-10-yldibenzofuran-1-yl)benzimidazolo[1,2-a]benzimidazole (PubChem CID 121426997) has the molecular formula C52H30N8O and a molecular weight of 782.87 g/mol. Its IUPAC name is 2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-(6-indolo[1,2-a]benzimidazol-10-yldibenzofuran-1-yl)benzimidazolo[1,2-a]benzimidazole.

Molecular Properties

• Compound Name: 2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-(6-indolo[1,2-a]benzimidazol-10-yldibenzofuran-1-yl)benzimidazolo[1,2-a]benzimidazole
• PubChem CID: 121426997
• Molecular Formula: C52H30N8O
• Molecular Weight: 782.87 g/mol
• Exact Mass: 782.25
• IUPAC Name: 2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-(6-indolo[1,2-a]benzimidazol-10-yldibenzofuran-1-yl)benzimidazolo[1,2-a]benzimidazole
• SMILES: c1ccc2c(c1)cc1n(-c3cccc4c3oc3cccc(-n5c6ccc(-n7c8ccccc8n8c9ccccc9nc78)cc6n6c7ccccc7nc56)c34)c3ccccc3n21
• InChI: InChI=1S/C52H30N8O/c1-4-17-36-31(13-1)29-48-56(36)40-21-8-9-22-41(40)57(48)45-25-11-14-33-49-44(24-12-26-47(49)61-50(33)45)60-43-28-27-32(30-46(43)59-38-19-6-3-16-35(38)54-52(59)60)55-39-20-7-10-23-42(39)58-37-18-5-2-15-34(37)53-51(55)58/h1-30H
• InChIKey: BIDKNDSFKISICE-UHFFFAOYSA-N
• XLogP: 12.43
• TPSA: 66.94 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	782.87
LogP ≤ 5	12.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-(6-indolo[1,2-a]benzimidazol-10-yldibenzofuran-1-yl)benzimidazolo[1,2-a]benzimidazole?

The IUPAC name of 2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-(6-indolo[1,2-a]benzimidazol-10-yldibenzofuran-1-yl)benzimidazolo[1,2-a]benzimidazole (CID 121426997) is 2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-(6-indolo[1,2-a]benzimidazol-10-yldibenzofuran-1-yl)benzimidazolo[1,2-a]benzimidazole.

What is the SMILES notation for 2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-(6-indolo[1,2-a]benzimidazol-10-yldibenzofuran-1-yl)benzimidazolo[1,2-a]benzimidazole?

The canonical SMILES for 2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-(6-indolo[1,2-a]benzimidazol-10-yldibenzofuran-1-yl)benzimidazolo[1,2-a]benzimidazole is c1ccc2c(c1)cc1n(-c3cccc4c3oc3cccc(-n5c6ccc(-n7c8ccccc8n8c9ccccc9nc78)cc6n6c7ccccc7nc56)c34)c3ccccc3n21.

What is the InChIKey of 2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-(6-indolo[1,2-a]benzimidazol-10-yldibenzofuran-1-yl)benzimidazolo[1,2-a]benzimidazole?

The InChIKey is BIDKNDSFKISICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30N8O/c1-4-17-36-31(13-1)29-48-56(36)40-21-8-9-22-41(40)57(48)45-25-11-14-33-49-44(24-12-26-47(49)61-50(33)45)60-43-28-27-32(30-46(43)59-38-19-6-3-16-35(38)54-52(59)60)55-39-20-7-10-23-42(39)58-37-18-5-2-15-34(37)53-51(55)58/h1-30H.

What are the key properties of 2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-(6-indolo[1,2-a]benzimidazol-10-yldibenzofuran-1-yl)benzimidazolo[1,2-a]benzimidazole?

2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-(6-indolo[1,2-a]benzimidazol-10-yldibenzofuran-1-yl)benzimidazolo[1,2-a]benzimidazole has a molecular weight of 782.87 g/mol, XLogP of 12.43, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-(6-indolo[1,2-a]benzimidazol-10-yldibenzofuran-1-yl)benzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 121426997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).