About 3-[9-[4-(6-fluorodibenzothiophen-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole
3-[9-[4-(6-fluorodibenzothiophen-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole (PubChem CID 121276740) has the molecular formula C51H30FN5S
and a molecular weight of 763.90 g/mol. Its IUPAC name is 3-[9-[4-(6-fluorodibenzothiophen-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole.
Molecular Properties
| Compound Name | 3-[9-[4-(6-fluorodibenzothiophen-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole |
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| PubChem CID | 121276740 |
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| Molecular Formula | C51H30FN5S |
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| Molecular Weight | 763.90 g/mol |
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| Exact Mass | 763.22 |
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| IUPAC Name | 3-[9-[4-(6-fluorodibenzothiophen-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole |
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| SMILES | Fc1cccc2c1sc1c(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc54)n3)cccc12 |
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| InChI | InChI=1S/C51H30FN5S/c52-42-22-12-20-39-38-19-11-21-40(47(38)58-48(39)42)50-53-49(31-13-3-1-4-14-31)54-51(55-50)57-44-24-10-7-17-35(44)37-27-25-33(30-46(37)57)32-26-28-45-41(29-32)36-18-8-9-23-43(36)56(45)34-15-5-2-6-16-34/h1-30H |
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| InChIKey | LYDZVKXMHRQTOF-UHFFFAOYSA-N |
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| XLogP | 13.57 |
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| TPSA | 48.53 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 58 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 763.90 |
| LogP ≤ 5 | 13.57 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
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Frequently Asked Questions
What is the IUPAC name of 3-[9-[4-(6-fluorodibenzothiophen-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9-[4-(6-fluorodibenzothiophen-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole (CID 121276740) is 3-[9-[4-(6-fluorodibenzothiophen-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9-[4-(6-fluorodibenzothiophen-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9-[4-(6-fluorodibenzothiophen-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole is Fc1cccc2c1sc1c(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc54)n3)cccc12.
What is the InChIKey of 3-[9-[4-(6-fluorodibenzothiophen-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole?
The InChIKey is LYDZVKXMHRQTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30FN5S/c52-42-22-12-20-39-38-19-11-21-40(47(38)58-48(39)42)50-53-49(31-13-3-1-4-14-31)54-51(55-50)57-44-24-10-7-17-35(44)37-27-25-33(30-46(37)57)32-26-28-45-41(29-32)36-18-8-9-23-43(36)56(45)34-15-5-2-6-16-34/h1-30H.
What are the key properties of 3-[9-[4-(6-fluorodibenzothiophen-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole?
3-[9-[4-(6-fluorodibenzothiophen-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole has a molecular weight of 763.90 g/mol, XLogP of 13.57, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[4-(6-fluorodibenzothiophen-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 121276740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).