About 2-[5-(9-phenylcarbazol-1-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]-5-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole
2-[5-(9-phenylcarbazol-1-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]-5-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole (PubChem CID 140948069) has the molecular formula C56H35N7
and a molecular weight of 805.95 g/mol. Its IUPAC name is 2-[5-(9-phenylcarbazol-1-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]-5-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole.
Molecular Properties
| Compound Name | 2-[5-(9-phenylcarbazol-1-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]-5-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole |
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| PubChem CID | 140948069 |
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| Molecular Formula | C56H35N7 |
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| Molecular Weight | 805.95 g/mol |
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| Exact Mass | 805.30 |
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| IUPAC Name | 2-[5-(9-phenylcarbazol-1-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]-5-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole |
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| SMILES | c1ccc(-c2ccc(-n3c4ccc(-c5ccc6c(c5)n5c7ccccc7nc5n6-c5cccc6c7ccccc7n(-c7ccccc7)c56)cc4n4c5ccccc5nc34)cc2)cc1 |
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| InChI | InChI=1S/C56H35N7/c1-3-14-36(15-4-1)37-26-30-41(31-27-37)60-49-32-28-38(34-52(49)61-47-23-11-8-20-44(47)57-55(60)61)39-29-33-50-53(35-39)62-48-24-12-9-21-45(48)58-56(62)63(50)51-25-13-19-43-42-18-7-10-22-46(42)59(54(43)51)40-16-5-2-6-17-40/h1-35H |
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| InChIKey | UDSIHKTYLFLLKV-UHFFFAOYSA-N |
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| XLogP | 13.61 |
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| TPSA | 49.39 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 63 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 805.95 |
| LogP ≤ 5 | 13.61 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |
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Frequently Asked Questions
What is the IUPAC name of 2-[5-(9-phenylcarbazol-1-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]-5-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole?
The IUPAC name of 2-[5-(9-phenylcarbazol-1-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]-5-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole (CID 140948069) is 2-[5-(9-phenylcarbazol-1-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]-5-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole.
What is the SMILES notation for 2-[5-(9-phenylcarbazol-1-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]-5-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole?
The canonical SMILES for 2-[5-(9-phenylcarbazol-1-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]-5-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole is c1ccc(-c2ccc(-n3c4ccc(-c5ccc6c(c5)n5c7ccccc7nc5n6-c5cccc6c7ccccc7n(-c7ccccc7)c56)cc4n4c5ccccc5nc34)cc2)cc1.
What is the InChIKey of 2-[5-(9-phenylcarbazol-1-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]-5-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole?
The InChIKey is UDSIHKTYLFLLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35N7/c1-3-14-36(15-4-1)37-26-30-41(31-27-37)60-49-32-28-38(34-52(49)61-47-23-11-8-20-44(47)57-55(60)61)39-29-33-50-53(35-39)62-48-24-12-9-21-45(48)58-56(62)63(50)51-25-13-19-43-42-18-7-10-22-46(42)59(54(43)51)40-16-5-2-6-17-40/h1-35H.
What are the key properties of 2-[5-(9-phenylcarbazol-1-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]-5-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole?
2-[5-(9-phenylcarbazol-1-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]-5-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole has a molecular weight of 805.95 g/mol, XLogP of 13.61, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(9-phenylcarbazol-1-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]-5-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 140948069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).