About 9-[1-[4-(2-carbazol-9-yl-4-fluorodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorodibenzofuran-2-yl]carbazole
9-[1-[4-(2-carbazol-9-yl-4-fluorodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorodibenzofuran-2-yl]carbazole (PubChem CID 153300136) has the molecular formula C57H31F2N5O2
and a molecular weight of 855.90 g/mol. Its IUPAC name is 9-[1-[4-(2-carbazol-9-yl-4-fluorodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorodibenzofuran-2-yl]carbazole.
Molecular Properties
| Compound Name | 9-[1-[4-(2-carbazol-9-yl-4-fluorodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorodibenzofuran-2-yl]carbazole |
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| PubChem CID | 153300136 |
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| Molecular Formula | C57H31F2N5O2 |
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| Molecular Weight | 855.90 g/mol |
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| Exact Mass | 855.24 |
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| IUPAC Name | 9-[1-[4-(2-carbazol-9-yl-4-fluorodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorodibenzofuran-2-yl]carbazole |
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| SMILES | Fc1cc(-n2c3ccccc3c3ccccc32)c(-c2nc(-c3ccccc3)nc(-c3c(-n4c5ccccc5c5ccccc54)cc(F)c4oc5ccccc5c34)n2)c2c1oc1ccccc12 |
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| InChI | InChI=1S/C57H31F2N5O2/c58-39-30-45(63-41-24-10-4-18-33(41)34-19-5-11-25-42(34)63)51(49-37-22-8-14-28-47(37)65-53(39)49)56-60-55(32-16-2-1-3-17-32)61-57(62-56)52-46(31-40(59)54-50(52)38-23-9-15-29-48(38)66-54)64-43-26-12-6-20-35(43)36-21-7-13-27-44(36)64/h1-31H |
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| InChIKey | SKJNRLZNYWZJQH-UHFFFAOYSA-N |
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| XLogP | 15.14 |
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| TPSA | 74.81 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 | 66 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 855.90 |
| LogP ≤ 5 | 15.14 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |
Analyze 9-[1-[4-(2-carbazol-9-yl-4-fluorodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorodibenzofuran-2-yl]carbazole with MolForge
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Frequently Asked Questions
What is the IUPAC name of 9-[1-[4-(2-carbazol-9-yl-4-fluorodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorodibenzofuran-2-yl]carbazole?
The IUPAC name of 9-[1-[4-(2-carbazol-9-yl-4-fluorodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorodibenzofuran-2-yl]carbazole (CID 153300136) is 9-[1-[4-(2-carbazol-9-yl-4-fluorodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorodibenzofuran-2-yl]carbazole.
What is the SMILES notation for 9-[1-[4-(2-carbazol-9-yl-4-fluorodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorodibenzofuran-2-yl]carbazole?
The canonical SMILES for 9-[1-[4-(2-carbazol-9-yl-4-fluorodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorodibenzofuran-2-yl]carbazole is Fc1cc(-n2c3ccccc3c3ccccc32)c(-c2nc(-c3ccccc3)nc(-c3c(-n4c5ccccc5c5ccccc54)cc(F)c4oc5ccccc5c34)n2)c2c1oc1ccccc12.
What is the InChIKey of 9-[1-[4-(2-carbazol-9-yl-4-fluorodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorodibenzofuran-2-yl]carbazole?
The InChIKey is SKJNRLZNYWZJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H31F2N5O2/c58-39-30-45(63-41-24-10-4-18-33(41)34-19-5-11-25-42(34)63)51(49-37-22-8-14-28-47(37)65-53(39)49)56-60-55(32-16-2-1-3-17-32)61-57(62-56)52-46(31-40(59)54-50(52)38-23-9-15-29-48(38)66-54)64-43-26-12-6-20-35(43)36-21-7-13-27-44(36)64/h1-31H.
What are the key properties of 9-[1-[4-(2-carbazol-9-yl-4-fluorodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorodibenzofuran-2-yl]carbazole?
9-[1-[4-(2-carbazol-9-yl-4-fluorodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorodibenzofuran-2-yl]carbazole has a molecular weight of 855.90 g/mol, XLogP of 15.14, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[1-[4-(2-carbazol-9-yl-4-fluorodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorodibenzofuran-2-yl]carbazole is sourced from PubChem (CID 153300136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).