About 9-[3-carbazol-9-yl-5-[3-(4-carbazol-9-ylphenyl)-5-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole
9-[3-carbazol-9-yl-5-[3-(4-carbazol-9-ylphenyl)-5-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole (PubChem CID 58500839) has the molecular formula C67H43N5
and a molecular weight of 918.12 g/mol. Its IUPAC name is 9-[3-carbazol-9-yl-5-[3-(4-carbazol-9-ylphenyl)-5-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole.
Molecular Properties
| Compound Name | 9-[3-carbazol-9-yl-5-[3-(4-carbazol-9-ylphenyl)-5-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole |
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| PubChem CID | 58500839 |
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| Molecular Formula | C67H43N5 |
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| Molecular Weight | 918.12 g/mol |
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| Exact Mass | 917.35 |
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| IUPAC Name | 9-[3-carbazol-9-yl-5-[3-(4-carbazol-9-ylphenyl)-5-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole |
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| SMILES | c1ccc(-n2c(-c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)c3)nc3ccccc32)cc1 |
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| InChI | InChI=1S/C67H43N5/c1-2-18-49(19-3-1)72-66-33-17-10-26-59(66)68-67(72)48-39-45(44-34-36-50(37-35-44)69-60-27-11-4-20-53(60)54-21-5-12-28-61(54)69)38-46(40-48)47-41-51(70-62-29-13-6-22-55(62)56-23-7-14-30-63(56)70)43-52(42-47)71-64-31-15-8-24-57(64)58-25-9-16-32-65(58)71/h1-43H |
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| InChIKey | BRDZRRXDJMUGKY-UHFFFAOYSA-N |
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| XLogP | 17.32 |
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| TPSA | 32.61 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 72 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 918.12 |
| LogP ≤ 5 | 17.32 |
| 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-[3-(4-carbazol-9-ylphenyl)-5-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole?
The IUPAC name of 9-[3-carbazol-9-yl-5-[3-(4-carbazol-9-ylphenyl)-5-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole (CID 58500839) is 9-[3-carbazol-9-yl-5-[3-(4-carbazol-9-ylphenyl)-5-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole.
What is the SMILES notation for 9-[3-carbazol-9-yl-5-[3-(4-carbazol-9-ylphenyl)-5-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole?
The canonical SMILES for 9-[3-carbazol-9-yl-5-[3-(4-carbazol-9-ylphenyl)-5-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole is c1ccc(-n2c(-c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)c3)nc3ccccc32)cc1.
What is the InChIKey of 9-[3-carbazol-9-yl-5-[3-(4-carbazol-9-ylphenyl)-5-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole?
The InChIKey is BRDZRRXDJMUGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H43N5/c1-2-18-49(19-3-1)72-66-33-17-10-26-59(66)68-67(72)48-39-45(44-34-36-50(37-35-44)69-60-27-11-4-20-53(60)54-21-5-12-28-61(54)69)38-46(40-48)47-41-51(70-62-29-13-6-22-55(62)56-23-7-14-30-63(56)70)43-52(42-47)71-64-31-15-8-24-57(64)58-25-9-16-32-65(58)71/h1-43H.
What are the key properties of 9-[3-carbazol-9-yl-5-[3-(4-carbazol-9-ylphenyl)-5-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole?
9-[3-carbazol-9-yl-5-[3-(4-carbazol-9-ylphenyl)-5-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole has a molecular weight of 918.12 g/mol, XLogP of 17.32, 7 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-[3-(4-carbazol-9-ylphenyl)-5-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole is sourced from PubChem (CID 58500839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).