About 9-[3-carbazol-9-yl-5-[6-(4-carbazol-9-ylphenyl)-2-(9,9-dimethylfluoren-2-yl)pyrimidin-4-yl]phenyl]carbazole
9-[3-carbazol-9-yl-5-[6-(4-carbazol-9-ylphenyl)-2-(9,9-dimethylfluoren-2-yl)pyrimidin-4-yl]phenyl]carbazole (PubChem CID 58526891) has the molecular formula C67H45N5
and a molecular weight of 920.13 g/mol. Its IUPAC name is 9-[3-carbazol-9-yl-5-[6-(4-carbazol-9-ylphenyl)-2-(9,9-dimethylfluoren-2-yl)pyrimidin-4-yl]phenyl]carbazole.
Molecular Properties
| Compound Name | 9-[3-carbazol-9-yl-5-[6-(4-carbazol-9-ylphenyl)-2-(9,9-dimethylfluoren-2-yl)pyrimidin-4-yl]phenyl]carbazole |
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| PubChem CID | 58526891 |
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| Molecular Formula | C67H45N5 |
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| Molecular Weight | 920.13 g/mol |
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| Exact Mass | 919.37 |
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| IUPAC Name | 9-[3-carbazol-9-yl-5-[6-(4-carbazol-9-ylphenyl)-2-(9,9-dimethylfluoren-2-yl)pyrimidin-4-yl]phenyl]carbazole |
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| SMILES | CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)n3)cc21 |
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| InChI | InChI=1S/C67H45N5/c1-67(2)56-24-10-3-17-48(56)49-36-33-43(39-57(49)67)66-68-58(42-31-34-45(35-32-42)70-60-25-11-4-18-50(60)51-19-5-12-26-61(51)70)41-59(69-66)44-37-46(71-62-27-13-6-20-52(62)53-21-7-14-28-63(53)71)40-47(38-44)72-64-29-15-8-22-54(64)55-23-9-16-30-65(55)72/h3-41H,1-2H3 |
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| InChIKey | MSZGAULHZSKYGF-UHFFFAOYSA-N |
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| XLogP | 17.08 |
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| TPSA | 40.57 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 72 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 920.13 |
| LogP ≤ 5 | 17.08 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |
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Frequently Asked Questions
What is the IUPAC name of 9-[3-carbazol-9-yl-5-[6-(4-carbazol-9-ylphenyl)-2-(9,9-dimethylfluoren-2-yl)pyrimidin-4-yl]phenyl]carbazole?
The IUPAC name of 9-[3-carbazol-9-yl-5-[6-(4-carbazol-9-ylphenyl)-2-(9,9-dimethylfluoren-2-yl)pyrimidin-4-yl]phenyl]carbazole (CID 58526891) is 9-[3-carbazol-9-yl-5-[6-(4-carbazol-9-ylphenyl)-2-(9,9-dimethylfluoren-2-yl)pyrimidin-4-yl]phenyl]carbazole.
What is the SMILES notation for 9-[3-carbazol-9-yl-5-[6-(4-carbazol-9-ylphenyl)-2-(9,9-dimethylfluoren-2-yl)pyrimidin-4-yl]phenyl]carbazole?
The canonical SMILES for 9-[3-carbazol-9-yl-5-[6-(4-carbazol-9-ylphenyl)-2-(9,9-dimethylfluoren-2-yl)pyrimidin-4-yl]phenyl]carbazole is CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)n3)cc21.
What is the InChIKey of 9-[3-carbazol-9-yl-5-[6-(4-carbazol-9-ylphenyl)-2-(9,9-dimethylfluoren-2-yl)pyrimidin-4-yl]phenyl]carbazole?
The InChIKey is MSZGAULHZSKYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H45N5/c1-67(2)56-24-10-3-17-48(56)49-36-33-43(39-57(49)67)66-68-58(42-31-34-45(35-32-42)70-60-25-11-4-18-50(60)51-19-5-12-26-61(51)70)41-59(69-66)44-37-46(71-62-27-13-6-20-52(62)53-21-7-14-28-63(53)71)40-47(38-44)72-64-29-15-8-22-54(64)55-23-9-16-30-65(55)72/h3-41H,1-2H3.
What are the key properties of 9-[3-carbazol-9-yl-5-[6-(4-carbazol-9-ylphenyl)-2-(9,9-dimethylfluoren-2-yl)pyrimidin-4-yl]phenyl]carbazole?
9-[3-carbazol-9-yl-5-[6-(4-carbazol-9-ylphenyl)-2-(9,9-dimethylfluoren-2-yl)pyrimidin-4-yl]phenyl]carbazole has a molecular weight of 920.13 g/mol, XLogP of 17.08, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-carbazol-9-yl-5-[6-(4-carbazol-9-ylphenyl)-2-(9,9-dimethylfluoren-2-yl)pyrimidin-4-yl]phenyl]carbazole is sourced from PubChem (CID 58526891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).