About [9-[4-[(E)-2-[4-(3-methylcarbazol-9-yl)phenyl]ethenyl]phenyl]carbazol-3-yl]-triphenylsilane
[9-[4-[(E)-2-[4-(3-methylcarbazol-9-yl)phenyl]ethenyl]phenyl]carbazol-3-yl]-triphenylsilane (PubChem CID 159127596) has the molecular formula C57H42N2Si
and a molecular weight of 783.06 g/mol. Its IUPAC name is [9-[4-[(E)-2-[4-(3-methylcarbazol-9-yl)phenyl]ethenyl]phenyl]carbazol-3-yl]-triphenylsilane.
Molecular Properties
| Compound Name | [9-[4-[(E)-2-[4-(3-methylcarbazol-9-yl)phenyl]ethenyl]phenyl]carbazol-3-yl]-triphenylsilane |
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| PubChem CID | 159127596 |
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| Molecular Formula | C57H42N2Si |
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| Molecular Weight | 783.06 g/mol |
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| Exact Mass | 782.31 |
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| IUPAC Name | [9-[4-[(E)-2-[4-(3-methylcarbazol-9-yl)phenyl]ethenyl]phenyl]carbazol-3-yl]-triphenylsilane |
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| SMILES | Cc1ccc2c(c1)c1ccccc1n2-c1ccc(/C=C/c2ccc(-n3c4ccccc4c4cc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)ccc43)cc2)cc1 |
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| InChI | InChI=1S/C57H42N2Si/c1-41-25-37-56-52(39-41)50-21-11-13-23-54(50)58(56)44-32-28-42(29-33-44)26-27-43-30-34-45(35-31-43)59-55-24-14-12-22-51(55)53-40-49(36-38-57(53)59)60(46-15-5-2-6-16-46,47-17-7-3-8-18-47)48-19-9-4-10-20-48/h2-40H,1H3/b27-26+ |
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| InChIKey | IZTQGGIZOFOSEB-CYYJNZCTSA-N |
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| XLogP | 11.74 |
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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 | 8 |
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| Heavy Atoms | 60 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 783.06 |
| LogP ≤ 5 | 11.74 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [9-[4-[(E)-2-[4-(3-methylcarbazol-9-yl)phenyl]ethenyl]phenyl]carbazol-3-yl]-triphenylsilane?
The IUPAC name of [9-[4-[(E)-2-[4-(3-methylcarbazol-9-yl)phenyl]ethenyl]phenyl]carbazol-3-yl]-triphenylsilane (CID 159127596) is [9-[4-[(E)-2-[4-(3-methylcarbazol-9-yl)phenyl]ethenyl]phenyl]carbazol-3-yl]-triphenylsilane.
What is the SMILES notation for [9-[4-[(E)-2-[4-(3-methylcarbazol-9-yl)phenyl]ethenyl]phenyl]carbazol-3-yl]-triphenylsilane?
The canonical SMILES for [9-[4-[(E)-2-[4-(3-methylcarbazol-9-yl)phenyl]ethenyl]phenyl]carbazol-3-yl]-triphenylsilane is Cc1ccc2c(c1)c1ccccc1n2-c1ccc(/C=C/c2ccc(-n3c4ccccc4c4cc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)ccc43)cc2)cc1.
What is the InChIKey of [9-[4-[(E)-2-[4-(3-methylcarbazol-9-yl)phenyl]ethenyl]phenyl]carbazol-3-yl]-triphenylsilane?
The InChIKey is IZTQGGIZOFOSEB-CYYJNZCTSA-N. The full InChI is InChI=1S/C57H42N2Si/c1-41-25-37-56-52(39-41)50-21-11-13-23-54(50)58(56)44-32-28-42(29-33-44)26-27-43-30-34-45(35-31-43)59-55-24-14-12-22-51(55)53-40-49(36-38-57(53)59)60(46-15-5-2-6-16-46,47-17-7-3-8-18-47)48-19-9-4-10-20-48/h2-40H,1H3/b27-26+.
What are the key properties of [9-[4-[(E)-2-[4-(3-methylcarbazol-9-yl)phenyl]ethenyl]phenyl]carbazol-3-yl]-triphenylsilane?
[9-[4-[(E)-2-[4-(3-methylcarbazol-9-yl)phenyl]ethenyl]phenyl]carbazol-3-yl]-triphenylsilane has a molecular weight of 783.06 g/mol, XLogP of 11.74, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [9-[4-[(E)-2-[4-(3-methylcarbazol-9-yl)phenyl]ethenyl]phenyl]carbazol-3-yl]-triphenylsilane is sourced from PubChem (CID 159127596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).