About [8-carbazol-9-yl-9-(9-phenylcarbazol-2-yl)carbazol-2-yl]-triphenylsilane
[8-carbazol-9-yl-9-(9-phenylcarbazol-2-yl)carbazol-2-yl]-triphenylsilane (PubChem CID 170516283) has the molecular formula C60H41N3Si
and a molecular weight of 832.10 g/mol. Its IUPAC name is [8-carbazol-9-yl-9-(9-phenylcarbazol-2-yl)carbazol-2-yl]-triphenylsilane.
Molecular Properties
| Compound Name | [8-carbazol-9-yl-9-(9-phenylcarbazol-2-yl)carbazol-2-yl]-triphenylsilane |
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| PubChem CID | 170516283 |
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| Molecular Formula | C60H41N3Si |
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| Molecular Weight | 832.10 g/mol |
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| Exact Mass | 831.31 |
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| IUPAC Name | [8-carbazol-9-yl-9-(9-phenylcarbazol-2-yl)carbazol-2-yl]-triphenylsilane |
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| SMILES | c1ccc(-n2c3ccccc3c3ccc(-n4c5cc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)ccc5c5cccc(-n6c7ccccc7c7ccccc76)c54)cc32)cc1 |
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| InChI | InChI=1S/C60H41N3Si/c1-5-20-42(21-6-1)61-54-32-16-13-30-50(54)51-38-36-43(40-58(51)61)62-59-41-47(64(44-22-7-2-8-23-44,45-24-9-3-10-25-45)46-26-11-4-12-27-46)37-39-52(59)53-31-19-35-57(60(53)62)63-55-33-17-14-28-48(55)49-29-15-18-34-56(49)63/h1-41H |
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| InChIKey | FZKNWTDIMNTSRF-UHFFFAOYSA-N |
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| XLogP | 12.36 |
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| TPSA | 14.79 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 64 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 832.10 |
| LogP ≤ 5 | 12.36 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [8-carbazol-9-yl-9-(9-phenylcarbazol-2-yl)carbazol-2-yl]-triphenylsilane?
The IUPAC name of [8-carbazol-9-yl-9-(9-phenylcarbazol-2-yl)carbazol-2-yl]-triphenylsilane (CID 170516283) is [8-carbazol-9-yl-9-(9-phenylcarbazol-2-yl)carbazol-2-yl]-triphenylsilane.
What is the SMILES notation for [8-carbazol-9-yl-9-(9-phenylcarbazol-2-yl)carbazol-2-yl]-triphenylsilane?
The canonical SMILES for [8-carbazol-9-yl-9-(9-phenylcarbazol-2-yl)carbazol-2-yl]-triphenylsilane is c1ccc(-n2c3ccccc3c3ccc(-n4c5cc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)ccc5c5cccc(-n6c7ccccc7c7ccccc76)c54)cc32)cc1.
What is the InChIKey of [8-carbazol-9-yl-9-(9-phenylcarbazol-2-yl)carbazol-2-yl]-triphenylsilane?
The InChIKey is FZKNWTDIMNTSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41N3Si/c1-5-20-42(21-6-1)61-54-32-16-13-30-50(54)51-38-36-43(40-58(51)61)62-59-41-47(64(44-22-7-2-8-23-44,45-24-9-3-10-25-45)46-26-11-4-12-27-46)37-39-52(59)53-31-19-35-57(60(53)62)63-55-33-17-14-28-48(55)49-29-15-18-34-56(49)63/h1-41H.
What are the key properties of [8-carbazol-9-yl-9-(9-phenylcarbazol-2-yl)carbazol-2-yl]-triphenylsilane?
[8-carbazol-9-yl-9-(9-phenylcarbazol-2-yl)carbazol-2-yl]-triphenylsilane has a molecular weight of 832.10 g/mol, XLogP of 12.36, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [8-carbazol-9-yl-9-(9-phenylcarbazol-2-yl)carbazol-2-yl]-triphenylsilane is sourced from PubChem (CID 170516283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).