About 9-[8-[2-[3-[1-(8-carbazol-9-yldibenzofuran-2-yl)imidazol-2-yl]phenyl]imidazol-1-yl]dibenzofuran-2-yl]carbazole
9-[8-[2-[3-[1-(8-carbazol-9-yldibenzofuran-2-yl)imidazol-2-yl]phenyl]imidazol-1-yl]dibenzofuran-2-yl]carbazole (PubChem CID 58037506) has the molecular formula C60H36N6O2
and a molecular weight of 872.99 g/mol. Its IUPAC name is 9-[8-[2-[3-[1-(8-carbazol-9-yldibenzofuran-2-yl)imidazol-2-yl]phenyl]imidazol-1-yl]dibenzofuran-2-yl]carbazole.
Molecular Properties
| Compound Name | 9-[8-[2-[3-[1-(8-carbazol-9-yldibenzofuran-2-yl)imidazol-2-yl]phenyl]imidazol-1-yl]dibenzofuran-2-yl]carbazole |
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| PubChem CID | 58037506 |
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| Molecular Formula | C60H36N6O2 |
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| Molecular Weight | 872.99 g/mol |
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| Exact Mass | 872.29 |
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| IUPAC Name | 9-[8-[2-[3-[1-(8-carbazol-9-yldibenzofuran-2-yl)imidazol-2-yl]phenyl]imidazol-1-yl]dibenzofuran-2-yl]carbazole |
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| SMILES | c1cc(-c2nccn2-c2ccc3oc4ccc(-n5c6ccccc6c6ccccc65)cc4c3c2)cc(-c2nccn2-c2ccc3oc4ccc(-n5c6ccccc6c6ccccc65)cc4c3c2)c1 |
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| InChI | InChI=1S/C60H36N6O2/c1-5-16-51-43(12-1)44-13-2-6-17-52(44)65(51)41-22-26-57-49(35-41)47-33-39(20-24-55(47)67-57)63-30-28-61-59(63)37-10-9-11-38(32-37)60-62-29-31-64(60)40-21-25-56-48(34-40)50-36-42(23-27-58(50)68-56)66-53-18-7-3-14-45(53)46-15-4-8-19-54(46)66/h1-36H |
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| InChIKey | DLRDPYAEPYXYRE-UHFFFAOYSA-N |
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| XLogP | 15.39 |
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| TPSA | 71.78 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 68 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 872.99 |
| LogP ≤ 5 | 15.39 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
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Frequently Asked Questions
What is the IUPAC name of 9-[8-[2-[3-[1-(8-carbazol-9-yldibenzofuran-2-yl)imidazol-2-yl]phenyl]imidazol-1-yl]dibenzofuran-2-yl]carbazole?
The IUPAC name of 9-[8-[2-[3-[1-(8-carbazol-9-yldibenzofuran-2-yl)imidazol-2-yl]phenyl]imidazol-1-yl]dibenzofuran-2-yl]carbazole (CID 58037506) is 9-[8-[2-[3-[1-(8-carbazol-9-yldibenzofuran-2-yl)imidazol-2-yl]phenyl]imidazol-1-yl]dibenzofuran-2-yl]carbazole.
What is the SMILES notation for 9-[8-[2-[3-[1-(8-carbazol-9-yldibenzofuran-2-yl)imidazol-2-yl]phenyl]imidazol-1-yl]dibenzofuran-2-yl]carbazole?
The canonical SMILES for 9-[8-[2-[3-[1-(8-carbazol-9-yldibenzofuran-2-yl)imidazol-2-yl]phenyl]imidazol-1-yl]dibenzofuran-2-yl]carbazole is c1cc(-c2nccn2-c2ccc3oc4ccc(-n5c6ccccc6c6ccccc65)cc4c3c2)cc(-c2nccn2-c2ccc3oc4ccc(-n5c6ccccc6c6ccccc65)cc4c3c2)c1.
What is the InChIKey of 9-[8-[2-[3-[1-(8-carbazol-9-yldibenzofuran-2-yl)imidazol-2-yl]phenyl]imidazol-1-yl]dibenzofuran-2-yl]carbazole?
The InChIKey is DLRDPYAEPYXYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36N6O2/c1-5-16-51-43(12-1)44-13-2-6-17-52(44)65(51)41-22-26-57-49(35-41)47-33-39(20-24-55(47)67-57)63-30-28-61-59(63)37-10-9-11-38(32-37)60-62-29-31-64(60)40-21-25-56-48(34-40)50-36-42(23-27-58(50)68-56)66-53-18-7-3-14-45(53)46-15-4-8-19-54(46)66/h1-36H.
What are the key properties of 9-[8-[2-[3-[1-(8-carbazol-9-yldibenzofuran-2-yl)imidazol-2-yl]phenyl]imidazol-1-yl]dibenzofuran-2-yl]carbazole?
9-[8-[2-[3-[1-(8-carbazol-9-yldibenzofuran-2-yl)imidazol-2-yl]phenyl]imidazol-1-yl]dibenzofuran-2-yl]carbazole has a molecular weight of 872.99 g/mol, XLogP of 15.39, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[8-[2-[3-[1-(8-carbazol-9-yldibenzofuran-2-yl)imidazol-2-yl]phenyl]imidazol-1-yl]dibenzofuran-2-yl]carbazole is sourced from PubChem (CID 58037506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).