About [3-[2-(4-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
[3-[2-(4-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane (PubChem CID 166588646) has the molecular formula C60H41N3Si
and a molecular weight of 832.10 g/mol. Its IUPAC name is [3-[2-(4-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane.
Molecular Properties
| Compound Name | [3-[2-(4-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane |
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| PubChem CID | 166588646 |
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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 | [3-[2-(4-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane |
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| SMILES | c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6c(-n7c8ccccc8c8ccccc87)cccc65)cc43)c2)cc1 |
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| InChI | InChI=1S/C60H41N3Si/c1-4-21-44(22-5-1)64(45-23-6-2-7-24-45,46-25-8-3-9-26-46)47-27-18-20-42(40-47)62-53-32-14-10-30-50(53)51-39-38-43(41-59(51)62)61-56-35-17-13-31-52(56)60-57(61)36-19-37-58(60)63-54-33-15-11-28-48(54)49-29-12-16-34-55(49)63/h1-41H |
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| InChIKey | LRODJNINIFYKMH-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 [3-[2-(4-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane?
The IUPAC name of [3-[2-(4-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane (CID 166588646) is [3-[2-(4-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane.
What is the SMILES notation for [3-[2-(4-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane?
The canonical SMILES for [3-[2-(4-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6c(-n7c8ccccc8c8ccccc87)cccc65)cc43)c2)cc1.
What is the InChIKey of [3-[2-(4-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane?
The InChIKey is LRODJNINIFYKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41N3Si/c1-4-21-44(22-5-1)64(45-23-6-2-7-24-45,46-25-8-3-9-26-46)47-27-18-20-42(40-47)62-53-32-14-10-30-50(53)51-39-38-43(41-59(51)62)61-56-35-17-13-31-52(56)60-57(61)36-19-37-58(60)63-54-33-15-11-28-48(54)49-29-12-16-34-55(49)63/h1-41H.
What are the key properties of [3-[2-(4-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane?
[3-[2-(4-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-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 [3-[2-(4-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane is sourced from PubChem (CID 166588646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).