About 3-[9-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
3-[9-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole (PubChem CID 163645600) has the molecular formula C55H32N4O2
and a molecular weight of 780.89 g/mol. Its IUPAC name is 3-[9-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole.
Molecular Properties
| Compound Name | 3-[9-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole |
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| PubChem CID | 163645600 |
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| Molecular Formula | C55H32N4O2 |
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| Molecular Weight | 780.89 g/mol |
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| Exact Mass | 780.25 |
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| IUPAC Name | 3-[9-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole |
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| SMILES | c1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6cccc(-c7nc(-c8ccc9ccccc9c8)nc(-c8ccc9c(c8)oc8ccccc89)n7)c6c5c4)ccc32)cc1 |
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| InChI | InChI=1S/C55H32N4O2/c1-2-13-39(14-3-1)59-46-18-8-6-15-40(46)44-30-35(24-27-47(44)59)36-25-28-49-45(31-36)52-43(17-10-20-50(52)60-49)55-57-53(37-22-21-33-11-4-5-12-34(33)29-37)56-54(58-55)38-23-26-42-41-16-7-9-19-48(41)61-51(42)32-38/h1-32H |
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| InChIKey | IHYIVLRCIUUYMA-UHFFFAOYSA-N |
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| XLogP | 14.59 |
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| TPSA | 69.88 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 | 61 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 780.89 |
| LogP ≤ 5 | 14.59 |
| 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-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole (CID 163645600) is 3-[9-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6cccc(-c7nc(-c8ccc9ccccc9c8)nc(-c8ccc9c(c8)oc8ccccc89)n7)c6c5c4)ccc32)cc1.
What is the InChIKey of 3-[9-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole?
The InChIKey is IHYIVLRCIUUYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H32N4O2/c1-2-13-39(14-3-1)59-46-18-8-6-15-40(46)44-30-35(24-27-47(44)59)36-25-28-49-45(31-36)52-43(17-10-20-50(52)60-49)55-57-53(37-22-21-33-11-4-5-12-34(33)29-37)56-54(58-55)38-23-26-42-41-16-7-9-19-48(41)61-51(42)32-38/h1-32H.
What are the key properties of 3-[9-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole?
3-[9-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole has a molecular weight of 780.89 g/mol, XLogP of 14.59, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 163645600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).