About [9-(5-carbazol-9-yl-9-phenylcarbazol-1-yl)carbazol-4-yl]-triphenylsilane
[9-(5-carbazol-9-yl-9-phenylcarbazol-1-yl)carbazol-4-yl]-triphenylsilane (PubChem CID 170515290) has the molecular formula C60H41N3Si
and a molecular weight of 832.10 g/mol. Its IUPAC name is [9-(5-carbazol-9-yl-9-phenylcarbazol-1-yl)carbazol-4-yl]-triphenylsilane.
Molecular Properties
| Compound Name | [9-(5-carbazol-9-yl-9-phenylcarbazol-1-yl)carbazol-4-yl]-triphenylsilane |
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| PubChem CID | 170515290 |
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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 | [9-(5-carbazol-9-yl-9-phenylcarbazol-1-yl)carbazol-4-yl]-triphenylsilane |
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| SMILES | c1ccc(-n2c3cccc(-n4c5ccccc5c5ccccc54)c3c3cccc(-n4c5ccccc5c5c([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cccc54)c32)cc1 |
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| InChI | InChI=1S/C60H41N3Si/c1-5-22-42(23-6-1)61-53-37-20-38-54(62-50-34-16-13-30-46(50)47-31-14-17-35-51(47)62)58(53)49-33-19-40-56(60(49)61)63-52-36-18-15-32-48(52)59-55(63)39-21-41-57(59)64(43-24-7-2-8-25-43,44-26-9-3-10-27-44)45-28-11-4-12-29-45/h1-41H |
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| InChIKey | PPCHUZHKOMVEDI-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 |
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| 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 [9-(5-carbazol-9-yl-9-phenylcarbazol-1-yl)carbazol-4-yl]-triphenylsilane?
The IUPAC name of [9-(5-carbazol-9-yl-9-phenylcarbazol-1-yl)carbazol-4-yl]-triphenylsilane (CID 170515290) is [9-(5-carbazol-9-yl-9-phenylcarbazol-1-yl)carbazol-4-yl]-triphenylsilane.
What is the SMILES notation for [9-(5-carbazol-9-yl-9-phenylcarbazol-1-yl)carbazol-4-yl]-triphenylsilane?
The canonical SMILES for [9-(5-carbazol-9-yl-9-phenylcarbazol-1-yl)carbazol-4-yl]-triphenylsilane is c1ccc(-n2c3cccc(-n4c5ccccc5c5ccccc54)c3c3cccc(-n4c5ccccc5c5c([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cccc54)c32)cc1.
What is the InChIKey of [9-(5-carbazol-9-yl-9-phenylcarbazol-1-yl)carbazol-4-yl]-triphenylsilane?
The InChIKey is PPCHUZHKOMVEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41N3Si/c1-5-22-42(23-6-1)61-53-37-20-38-54(62-50-34-16-13-30-46(50)47-31-14-17-35-51(47)62)58(53)49-33-19-40-56(60(49)61)63-52-36-18-15-32-48(52)59-55(63)39-21-41-57(59)64(43-24-7-2-8-25-43,44-26-9-3-10-27-44)45-28-11-4-12-29-45/h1-41H.
What are the key properties of [9-(5-carbazol-9-yl-9-phenylcarbazol-1-yl)carbazol-4-yl]-triphenylsilane?
[9-(5-carbazol-9-yl-9-phenylcarbazol-1-yl)carbazol-4-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 [9-(5-carbazol-9-yl-9-phenylcarbazol-1-yl)carbazol-4-yl]-triphenylsilane is sourced from PubChem (CID 170515290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).