About 3-[9-[4-(7-fluoro-9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole
3-[9-[4-(7-fluoro-9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole (PubChem CID 121276683) has the molecular formula C55H37FN4
and a molecular weight of 772.93 g/mol. Its IUPAC name is 3-[9-[4-(7-fluoro-9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole.
Molecular Properties
| Compound Name | 3-[9-[4-(7-fluoro-9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole |
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| PubChem CID | 121276683 |
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| Molecular Formula | C55H37FN4 |
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| Molecular Weight | 772.93 g/mol |
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| Exact Mass | 772.30 |
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| IUPAC Name | 3-[9-[4-(7-fluoro-9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole |
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| SMILES | CC1(C)c2cc(F)ccc2-c2ccc(-c3cc(-c4ccccc4)nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)n3)cc21 |
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| InChI | InChI=1S/C55H37FN4/c1-55(2)46-31-37(21-25-40(46)41-26-24-38(56)32-47(41)55)49-33-48(34-13-5-3-6-14-34)57-54(58-49)60-51-20-12-10-18-43(51)45-30-36(23-28-53(45)60)35-22-27-52-44(29-35)42-17-9-11-19-50(42)59(52)39-15-7-4-8-16-39/h3-33H,1-2H3 |
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| InChIKey | WROXDIDTRDKDET-UHFFFAOYSA-N |
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| XLogP | 14.12 |
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| TPSA | 35.64 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 60 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 772.93 |
| LogP ≤ 5 | 14.12 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of 3-[9-[4-(7-fluoro-9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9-[4-(7-fluoro-9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole (CID 121276683) is 3-[9-[4-(7-fluoro-9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9-[4-(7-fluoro-9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9-[4-(7-fluoro-9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole is CC1(C)c2cc(F)ccc2-c2ccc(-c3cc(-c4ccccc4)nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)n3)cc21.
What is the InChIKey of 3-[9-[4-(7-fluoro-9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole?
The InChIKey is WROXDIDTRDKDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37FN4/c1-55(2)46-31-37(21-25-40(46)41-26-24-38(56)32-47(41)55)49-33-48(34-13-5-3-6-14-34)57-54(58-49)60-51-20-12-10-18-43(51)45-30-36(23-28-53(45)60)35-22-27-52-44(29-35)42-17-9-11-19-50(42)59(52)39-15-7-4-8-16-39/h3-33H,1-2H3.
What are the key properties of 3-[9-[4-(7-fluoro-9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole?
3-[9-[4-(7-fluoro-9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole has a molecular weight of 772.93 g/mol, XLogP of 14.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[4-(7-fluoro-9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 121276683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).