About 2-carbazol-9-yl-6-[2-[2-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]ethoxy]ethyl]phenyl]-4-methylphenol
2-carbazol-9-yl-6-[2-[2-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]ethoxy]ethyl]phenyl]-4-methylphenol (PubChem CID 89436405) has the molecular formula C54H44N2O3
and a molecular weight of 768.96 g/mol. Its IUPAC name is 2-carbazol-9-yl-6-[2-[2-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]ethoxy]ethyl]phenyl]-4-methylphenol.
Molecular Properties
| Compound Name | 2-carbazol-9-yl-6-[2-[2-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]ethoxy]ethyl]phenyl]-4-methylphenol |
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| PubChem CID | 89436405 |
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| Molecular Formula | C54H44N2O3 |
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| Molecular Weight | 768.96 g/mol |
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| Exact Mass | 768.34 |
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| IUPAC Name | 2-carbazol-9-yl-6-[2-[2-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]ethoxy]ethyl]phenyl]-4-methylphenol |
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| SMILES | Cc1cc(-c2ccccc2CCOCCc2ccccc2-c2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)c(O)c(-n2c3ccccc3c3ccccc32)c1 |
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| InChI | InChI=1S/C54H44N2O3/c1-35-31-45(53(57)51(33-35)55-47-23-11-7-19-41(47)42-20-8-12-24-48(42)55)39-17-5-3-15-37(39)27-29-59-30-28-38-16-4-6-18-40(38)46-32-36(2)34-52(54(46)58)56-49-25-13-9-21-43(49)44-22-10-14-26-50(44)56/h3-26,31-34,57-58H,27-30H2,1-2H3 |
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| InChIKey | PYIHBLHLMBOLGB-UHFFFAOYSA-N |
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| XLogP | 13.04 |
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| TPSA | 59.55 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 10 |
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| Heavy Atoms | 59 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 768.96 |
| LogP ≤ 5 | 13.04 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 5 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-carbazol-9-yl-6-[2-[2-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]ethoxy]ethyl]phenyl]-4-methylphenol?
The IUPAC name of 2-carbazol-9-yl-6-[2-[2-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]ethoxy]ethyl]phenyl]-4-methylphenol (CID 89436405) is 2-carbazol-9-yl-6-[2-[2-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]ethoxy]ethyl]phenyl]-4-methylphenol.
What is the SMILES notation for 2-carbazol-9-yl-6-[2-[2-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]ethoxy]ethyl]phenyl]-4-methylphenol?
The canonical SMILES for 2-carbazol-9-yl-6-[2-[2-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]ethoxy]ethyl]phenyl]-4-methylphenol is Cc1cc(-c2ccccc2CCOCCc2ccccc2-c2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)c(O)c(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 2-carbazol-9-yl-6-[2-[2-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]ethoxy]ethyl]phenyl]-4-methylphenol?
The InChIKey is PYIHBLHLMBOLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H44N2O3/c1-35-31-45(53(57)51(33-35)55-47-23-11-7-19-41(47)42-20-8-12-24-48(42)55)39-17-5-3-15-37(39)27-29-59-30-28-38-16-4-6-18-40(38)46-32-36(2)34-52(54(46)58)56-49-25-13-9-21-43(49)44-22-10-14-26-50(44)56/h3-26,31-34,57-58H,27-30H2,1-2H3.
What are the key properties of 2-carbazol-9-yl-6-[2-[2-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]ethoxy]ethyl]phenyl]-4-methylphenol?
2-carbazol-9-yl-6-[2-[2-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]ethoxy]ethyl]phenyl]-4-methylphenol has a molecular weight of 768.96 g/mol, XLogP of 13.04, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-yl-6-[2-[2-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]ethoxy]ethyl]phenyl]-4-methylphenol is sourced from PubChem (CID 89436405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).