About 9-[[4-[6-(2-cyclohexylimidazol-1-yl)-2,8-di(propan-2-yl)dibenzofuran-4-yl]benzimidazol-1-yl]methoxymethyl]carbazole
9-[[4-[6-(2-cyclohexylimidazol-1-yl)-2,8-di(propan-2-yl)dibenzofuran-4-yl]benzimidazol-1-yl]methoxymethyl]carbazole (PubChem CID 58059136) has the molecular formula C48H47N5O2
and a molecular weight of 725.94 g/mol. Its IUPAC name is 9-[[4-[6-(2-cyclohexylimidazol-1-yl)-2,8-di(propan-2-yl)dibenzofuran-4-yl]benzimidazol-1-yl]methoxymethyl]carbazole.
Molecular Properties
| Compound Name | 9-[[4-[6-(2-cyclohexylimidazol-1-yl)-2,8-di(propan-2-yl)dibenzofuran-4-yl]benzimidazol-1-yl]methoxymethyl]carbazole |
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| PubChem CID | 58059136 |
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| Molecular Formula | C48H47N5O2 |
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| Molecular Weight | 725.94 g/mol |
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| Exact Mass | 725.37 |
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| IUPAC Name | 9-[[4-[6-(2-cyclohexylimidazol-1-yl)-2,8-di(propan-2-yl)dibenzofuran-4-yl]benzimidazol-1-yl]methoxymethyl]carbazole |
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| SMILES | CC(C)c1cc(-c2cccc3c2ncn3COCn2c3ccccc3c3ccccc32)c2oc3c(-n4ccnc4C4CCCCC4)cc(C(C)C)cc3c2c1 |
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| InChI | InChI=1S/C48H47N5O2/c1-30(2)33-23-38(46-39(24-33)40-25-34(31(3)4)26-44(47(40)55-46)52-22-21-49-48(52)32-13-6-5-7-14-32)37-17-12-20-43-45(37)50-27-51(43)28-54-29-53-41-18-10-8-15-35(41)36-16-9-11-19-42(36)53/h8-12,15-27,30-32H,5-7,13-14,28-29H2,1-4H3 |
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| InChIKey | LYDVGCJXIPHTIL-UHFFFAOYSA-N |
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| XLogP | 12.82 |
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| TPSA | 62.94 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 9 |
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| Heavy Atoms | 55 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 725.94 |
| LogP ≤ 5 | 12.82 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |
Analyze 9-[[4-[6-(2-cyclohexylimidazol-1-yl)-2,8-di(propan-2-yl)dibenzofuran-4-yl]benzimidazol-1-yl]methoxymethyl]carbazole with MolForge
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Frequently Asked Questions
What is the IUPAC name of 9-[[4-[6-(2-cyclohexylimidazol-1-yl)-2,8-di(propan-2-yl)dibenzofuran-4-yl]benzimidazol-1-yl]methoxymethyl]carbazole?
The IUPAC name of 9-[[4-[6-(2-cyclohexylimidazol-1-yl)-2,8-di(propan-2-yl)dibenzofuran-4-yl]benzimidazol-1-yl]methoxymethyl]carbazole (CID 58059136) is 9-[[4-[6-(2-cyclohexylimidazol-1-yl)-2,8-di(propan-2-yl)dibenzofuran-4-yl]benzimidazol-1-yl]methoxymethyl]carbazole.
What is the SMILES notation for 9-[[4-[6-(2-cyclohexylimidazol-1-yl)-2,8-di(propan-2-yl)dibenzofuran-4-yl]benzimidazol-1-yl]methoxymethyl]carbazole?
The canonical SMILES for 9-[[4-[6-(2-cyclohexylimidazol-1-yl)-2,8-di(propan-2-yl)dibenzofuran-4-yl]benzimidazol-1-yl]methoxymethyl]carbazole is CC(C)c1cc(-c2cccc3c2ncn3COCn2c3ccccc3c3ccccc32)c2oc3c(-n4ccnc4C4CCCCC4)cc(C(C)C)cc3c2c1.
What is the InChIKey of 9-[[4-[6-(2-cyclohexylimidazol-1-yl)-2,8-di(propan-2-yl)dibenzofuran-4-yl]benzimidazol-1-yl]methoxymethyl]carbazole?
The InChIKey is LYDVGCJXIPHTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H47N5O2/c1-30(2)33-23-38(46-39(24-33)40-25-34(31(3)4)26-44(47(40)55-46)52-22-21-49-48(52)32-13-6-5-7-14-32)37-17-12-20-43-45(37)50-27-51(43)28-54-29-53-41-18-10-8-15-35(41)36-16-9-11-19-42(36)53/h8-12,15-27,30-32H,5-7,13-14,28-29H2,1-4H3.
What are the key properties of 9-[[4-[6-(2-cyclohexylimidazol-1-yl)-2,8-di(propan-2-yl)dibenzofuran-4-yl]benzimidazol-1-yl]methoxymethyl]carbazole?
9-[[4-[6-(2-cyclohexylimidazol-1-yl)-2,8-di(propan-2-yl)dibenzofuran-4-yl]benzimidazol-1-yl]methoxymethyl]carbazole has a molecular weight of 725.94 g/mol, XLogP of 12.82, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[4-[6-(2-cyclohexylimidazol-1-yl)-2,8-di(propan-2-yl)dibenzofuran-4-yl]benzimidazol-1-yl]methoxymethyl]carbazole is sourced from PubChem (CID 58059136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).