About 9-[1-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-3-dibenzothiophen-4-ylcarbazole
9-[1-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-3-dibenzothiophen-4-ylcarbazole (PubChem CID 163677122) has the molecular formula C57H33N5OS
and a molecular weight of 835.99 g/mol. Its IUPAC name is 9-[1-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-3-dibenzothiophen-4-ylcarbazole.
Molecular Properties
| Compound Name | 9-[1-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-3-dibenzothiophen-4-ylcarbazole |
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| PubChem CID | 163677122 |
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| Molecular Formula | C57H33N5OS |
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| Molecular Weight | 835.99 g/mol |
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| Exact Mass | 835.24 |
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| IUPAC Name | 9-[1-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-3-dibenzothiophen-4-ylcarbazole |
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| SMILES | c1ccc(-c2nc(-c3c(-n4c5ccccc5c5cc(-c6cccc7c6sc6ccccc67)ccc54)ccc4oc5ccccc5c34)nc(-n3c4ccccc4c4ccccc43)n2)cc1 |
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| InChI | InChI=1S/C57H33N5OS/c1-2-15-34(16-3-1)55-58-56(60-57(59-55)62-45-25-10-4-17-37(45)38-18-5-11-26-46(38)62)53-48(31-32-50-52(53)42-21-7-12-27-49(42)63-50)61-44-24-9-6-19-39(44)43-33-35(29-30-47(43)61)36-22-14-23-41-40-20-8-13-28-51(40)64-54(36)41/h1-33H |
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| InChIKey | JHPWLGJTGSETOA-UHFFFAOYSA-N |
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| XLogP | 15.33 |
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| TPSA | 61.67 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 | 64 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 835.99 |
| LogP ≤ 5 | 15.33 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |
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Frequently Asked Questions
What is the IUPAC name of 9-[1-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-3-dibenzothiophen-4-ylcarbazole?
The IUPAC name of 9-[1-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-3-dibenzothiophen-4-ylcarbazole (CID 163677122) is 9-[1-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-3-dibenzothiophen-4-ylcarbazole.
What is the SMILES notation for 9-[1-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-3-dibenzothiophen-4-ylcarbazole?
The canonical SMILES for 9-[1-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-3-dibenzothiophen-4-ylcarbazole is c1ccc(-c2nc(-c3c(-n4c5ccccc5c5cc(-c6cccc7c6sc6ccccc67)ccc54)ccc4oc5ccccc5c34)nc(-n3c4ccccc4c4ccccc43)n2)cc1.
What is the InChIKey of 9-[1-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-3-dibenzothiophen-4-ylcarbazole?
The InChIKey is JHPWLGJTGSETOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H33N5OS/c1-2-15-34(16-3-1)55-58-56(60-57(59-55)62-45-25-10-4-17-37(45)38-18-5-11-26-46(38)62)53-48(31-32-50-52(53)42-21-7-12-27-49(42)63-50)61-44-24-9-6-19-39(44)43-33-35(29-30-47(43)61)36-22-14-23-41-40-20-8-13-28-51(40)64-54(36)41/h1-33H.
What are the key properties of 9-[1-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-3-dibenzothiophen-4-ylcarbazole?
9-[1-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-3-dibenzothiophen-4-ylcarbazole has a molecular weight of 835.99 g/mol, XLogP of 15.33, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[1-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-3-dibenzothiophen-4-ylcarbazole is sourced from PubChem (CID 163677122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).