About [3-[4-(4-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
[3-[4-(4-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane (PubChem CID 166588383) has the molecular formula C60H41N3Si
and a molecular weight of 832.10 g/mol. Its IUPAC name is [3-[4-(4-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane.
Molecular Properties
| Compound Name | [3-[4-(4-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane |
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| PubChem CID | 166588383 |
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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-[4-(4-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane |
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| SMILES | c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-n3c4ccccc4c4c(-n5c6ccccc6c6c(-n7c8ccccc8c8ccccc87)cccc65)cccc43)c2)cc1 |
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| InChI | InChI=1S/C60H41N3Si/c1-4-22-43(23-5-1)64(44-24-6-2-7-25-44,45-26-8-3-9-27-45)46-28-18-21-42(41-46)61-53-35-16-12-31-49(53)59-55(61)37-19-39-57(59)63-54-36-17-13-32-50(54)60-56(38-20-40-58(60)63)62-51-33-14-10-29-47(51)48-30-11-15-34-52(48)62/h1-41H |
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| InChIKey | QPSJZSYDVLSAHM-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 [3-[4-(4-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane?
The IUPAC name of [3-[4-(4-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane (CID 166588383) is [3-[4-(4-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane.
What is the SMILES notation for [3-[4-(4-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane?
The canonical SMILES for [3-[4-(4-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-n3c4ccccc4c4c(-n5c6ccccc6c6c(-n7c8ccccc8c8ccccc87)cccc65)cccc43)c2)cc1.
What is the InChIKey of [3-[4-(4-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane?
The InChIKey is QPSJZSYDVLSAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41N3Si/c1-4-22-43(23-5-1)64(44-24-6-2-7-25-44,45-26-8-3-9-27-45)46-28-18-21-42(41-46)61-53-35-16-12-31-49(53)59-55(61)37-19-39-57(59)63-54-36-17-13-32-50(54)60-56(38-20-40-58(60)63)62-51-33-14-10-29-47(51)48-30-11-15-34-52(48)62/h1-41H.
What are the key properties of [3-[4-(4-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane?
[3-[4-(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-[4-(4-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane is sourced from PubChem (CID 166588383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).