About 9-phenyl-3-[2-[1-(9-phenylcarbazol-3-yl)-4-(trifluoromethyl)imidazol-2-yl]-4-(trifluoromethyl)imidazol-1-yl]carbazole
9-phenyl-3-[2-[1-(9-phenylcarbazol-3-yl)-4-(trifluoromethyl)imidazol-2-yl]-4-(trifluoromethyl)imidazol-1-yl]carbazole (PubChem CID 87849614) has the molecular formula C44H26F6N6
and a molecular weight of 752.72 g/mol. Its IUPAC name is 9-phenyl-3-[2-[1-(9-phenylcarbazol-3-yl)-4-(trifluoromethyl)imidazol-2-yl]-4-(trifluoromethyl)imidazol-1-yl]carbazole.
Molecular Properties
| Compound Name | 9-phenyl-3-[2-[1-(9-phenylcarbazol-3-yl)-4-(trifluoromethyl)imidazol-2-yl]-4-(trifluoromethyl)imidazol-1-yl]carbazole |
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| PubChem CID | 87849614 |
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| Molecular Formula | C44H26F6N6 |
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| Molecular Weight | 752.72 g/mol |
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| Exact Mass | 752.21 |
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| IUPAC Name | 9-phenyl-3-[2-[1-(9-phenylcarbazol-3-yl)-4-(trifluoromethyl)imidazol-2-yl]-4-(trifluoromethyl)imidazol-1-yl]carbazole |
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| SMILES | FC(F)(F)c1cn(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c(-c2nc(C(F)(F)F)cn2-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)n1 |
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| InChI | InChI=1S/C44H26F6N6/c45-43(46,47)39-25-53(29-19-21-37-33(23-29)31-15-7-9-17-35(31)55(37)27-11-3-1-4-12-27)41(51-39)42-52-40(44(48,49)50)26-54(42)30-20-22-38-34(24-30)32-16-8-10-18-36(32)56(38)28-13-5-2-6-14-28/h1-26H |
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| InChIKey | CBEYFFDSMZSIPV-UHFFFAOYSA-N |
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| XLogP | 11.96 |
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| TPSA | 45.50 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 | 56 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 752.72 |
| LogP ≤ 5 | 11.96 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
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Frequently Asked Questions
What is the IUPAC name of 9-phenyl-3-[2-[1-(9-phenylcarbazol-3-yl)-4-(trifluoromethyl)imidazol-2-yl]-4-(trifluoromethyl)imidazol-1-yl]carbazole?
The IUPAC name of 9-phenyl-3-[2-[1-(9-phenylcarbazol-3-yl)-4-(trifluoromethyl)imidazol-2-yl]-4-(trifluoromethyl)imidazol-1-yl]carbazole (CID 87849614) is 9-phenyl-3-[2-[1-(9-phenylcarbazol-3-yl)-4-(trifluoromethyl)imidazol-2-yl]-4-(trifluoromethyl)imidazol-1-yl]carbazole.
What is the SMILES notation for 9-phenyl-3-[2-[1-(9-phenylcarbazol-3-yl)-4-(trifluoromethyl)imidazol-2-yl]-4-(trifluoromethyl)imidazol-1-yl]carbazole?
The canonical SMILES for 9-phenyl-3-[2-[1-(9-phenylcarbazol-3-yl)-4-(trifluoromethyl)imidazol-2-yl]-4-(trifluoromethyl)imidazol-1-yl]carbazole is FC(F)(F)c1cn(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c(-c2nc(C(F)(F)F)cn2-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)n1.
What is the InChIKey of 9-phenyl-3-[2-[1-(9-phenylcarbazol-3-yl)-4-(trifluoromethyl)imidazol-2-yl]-4-(trifluoromethyl)imidazol-1-yl]carbazole?
The InChIKey is CBEYFFDSMZSIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26F6N6/c45-43(46,47)39-25-53(29-19-21-37-33(23-29)31-15-7-9-17-35(31)55(37)27-11-3-1-4-12-27)41(51-39)42-52-40(44(48,49)50)26-54(42)30-20-22-38-34(24-30)32-16-8-10-18-36(32)56(38)28-13-5-2-6-14-28/h1-26H.
What are the key properties of 9-phenyl-3-[2-[1-(9-phenylcarbazol-3-yl)-4-(trifluoromethyl)imidazol-2-yl]-4-(trifluoromethyl)imidazol-1-yl]carbazole?
9-phenyl-3-[2-[1-(9-phenylcarbazol-3-yl)-4-(trifluoromethyl)imidazol-2-yl]-4-(trifluoromethyl)imidazol-1-yl]carbazole has a molecular weight of 752.72 g/mol, XLogP of 11.96, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-3-[2-[1-(9-phenylcarbazol-3-yl)-4-(trifluoromethyl)imidazol-2-yl]-4-(trifluoromethyl)imidazol-1-yl]carbazole is sourced from PubChem (CID 87849614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).