About 6-[8-(benzimidazolo[1,2-a]benzimidazol-5-yl)dibenzofuran-2-yl]-3-methylbenzimidazolo[1,2-a]benzimidazole
6-[8-(benzimidazolo[1,2-a]benzimidazol-5-yl)dibenzofuran-2-yl]-3-methylbenzimidazolo[1,2-a]benzimidazole (PubChem CID 130359017) has the molecular formula C39H24N6O
and a molecular weight of 592.66 g/mol. Its IUPAC name is 6-[8-(benzimidazolo[1,2-a]benzimidazol-5-yl)dibenzofuran-2-yl]-3-methylbenzimidazolo[1,2-a]benzimidazole.
Molecular Properties
| Compound Name | 6-[8-(benzimidazolo[1,2-a]benzimidazol-5-yl)dibenzofuran-2-yl]-3-methylbenzimidazolo[1,2-a]benzimidazole |
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| PubChem CID | 130359017 |
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| Molecular Formula | C39H24N6O |
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| Molecular Weight | 592.66 g/mol |
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| Exact Mass | 592.20 |
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| IUPAC Name | 6-[8-(benzimidazolo[1,2-a]benzimidazol-5-yl)dibenzofuran-2-yl]-3-methylbenzimidazolo[1,2-a]benzimidazole |
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| SMILES | Cc1ccc2c(c1)nc1n(-c3ccc4oc5ccc(-n6c7ccccc7n7c8ccccc8nc67)cc5c4c3)c3ccccc3n21 |
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| InChI | InChI=1S/C39H24N6O/c1-23-14-17-31-29(20-23)41-39-43(33-11-5-7-13-35(33)45(31)39)25-16-19-37-27(22-25)26-21-24(15-18-36(26)46-37)42-32-10-4-6-12-34(32)44-30-9-3-2-8-28(30)40-38(42)44/h2-22H,1H3 |
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| InChIKey | GMPFVUVSUQVJDO-UHFFFAOYSA-N |
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| XLogP | 9.38 |
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| TPSA | 57.60 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 2 |
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| Heavy Atoms | 46 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 592.66 |
| LogP ≤ 5 | 9.38 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |
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Frequently Asked Questions
What is the IUPAC name of 6-[8-(benzimidazolo[1,2-a]benzimidazol-5-yl)dibenzofuran-2-yl]-3-methylbenzimidazolo[1,2-a]benzimidazole?
The IUPAC name of 6-[8-(benzimidazolo[1,2-a]benzimidazol-5-yl)dibenzofuran-2-yl]-3-methylbenzimidazolo[1,2-a]benzimidazole (CID 130359017) is 6-[8-(benzimidazolo[1,2-a]benzimidazol-5-yl)dibenzofuran-2-yl]-3-methylbenzimidazolo[1,2-a]benzimidazole.
What is the SMILES notation for 6-[8-(benzimidazolo[1,2-a]benzimidazol-5-yl)dibenzofuran-2-yl]-3-methylbenzimidazolo[1,2-a]benzimidazole?
The canonical SMILES for 6-[8-(benzimidazolo[1,2-a]benzimidazol-5-yl)dibenzofuran-2-yl]-3-methylbenzimidazolo[1,2-a]benzimidazole is Cc1ccc2c(c1)nc1n(-c3ccc4oc5ccc(-n6c7ccccc7n7c8ccccc8nc67)cc5c4c3)c3ccccc3n21.
What is the InChIKey of 6-[8-(benzimidazolo[1,2-a]benzimidazol-5-yl)dibenzofuran-2-yl]-3-methylbenzimidazolo[1,2-a]benzimidazole?
The InChIKey is GMPFVUVSUQVJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24N6O/c1-23-14-17-31-29(20-23)41-39-43(33-11-5-7-13-35(33)45(31)39)25-16-19-37-27(22-25)26-21-24(15-18-36(26)46-37)42-32-10-4-6-12-34(32)44-30-9-3-2-8-28(30)40-38(42)44/h2-22H,1H3.
What are the key properties of 6-[8-(benzimidazolo[1,2-a]benzimidazol-5-yl)dibenzofuran-2-yl]-3-methylbenzimidazolo[1,2-a]benzimidazole?
6-[8-(benzimidazolo[1,2-a]benzimidazol-5-yl)dibenzofuran-2-yl]-3-methylbenzimidazolo[1,2-a]benzimidazole has a molecular weight of 592.66 g/mol, XLogP of 9.38, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[8-(benzimidazolo[1,2-a]benzimidazol-5-yl)dibenzofuran-2-yl]-3-methylbenzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 130359017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).