About 9-[4-[2-[4-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
9-[4-[2-[4-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole (PubChem CID 118041264) has the molecular formula C54H36N2
and a molecular weight of 712.90 g/mol. Its IUPAC name is 9-[4-[2-[4-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole.
Molecular Properties
| Compound Name | 9-[4-[2-[4-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole |
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| PubChem CID | 118041264 |
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| Molecular Formula | C54H36N2 |
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| Molecular Weight | 712.90 g/mol |
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| Exact Mass | 712.29 |
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| IUPAC Name | 9-[4-[2-[4-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole |
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| SMILES | c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c(-c2ccc(-c3ccccc3-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)c1 |
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| InChI | InChI=1S/C54H36N2/c1-3-15-45(39-29-33-41(34-30-39)55-51-21-9-5-17-47(51)48-18-6-10-22-52(48)55)43(13-1)37-25-27-38(28-26-37)44-14-2-4-16-46(44)40-31-35-42(36-32-40)56-53-23-11-7-19-49(53)50-20-8-12-24-54(50)56/h1-36H |
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| InChIKey | GIFUGGNTIUHUTA-UHFFFAOYSA-N |
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| XLogP | 14.55 |
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| TPSA | 9.86 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 56 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 712.90 |
| LogP ≤ 5 | 14.55 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 9-[4-[2-[4-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole?
The IUPAC name of 9-[4-[2-[4-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole (CID 118041264) is 9-[4-[2-[4-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[2-[4-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole?
The canonical SMILES for 9-[4-[2-[4-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole is c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c(-c2ccc(-c3ccccc3-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)c1.
What is the InChIKey of 9-[4-[2-[4-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole?
The InChIKey is GIFUGGNTIUHUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2/c1-3-15-45(39-29-33-41(34-30-39)55-51-21-9-5-17-47(51)48-18-6-10-22-52(48)55)43(13-1)37-25-27-38(28-26-37)44-14-2-4-16-46(44)40-31-35-42(36-32-40)56-53-23-11-7-19-49(53)50-20-8-12-24-54(50)56/h1-36H.
What are the key properties of 9-[4-[2-[4-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole?
9-[4-[2-[4-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole has a molecular weight of 712.90 g/mol, XLogP of 14.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[2-[4-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole is sourced from PubChem (CID 118041264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).