About [3-[3-(2-dibenzofuran-1-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
[3-[3-(2-dibenzofuran-1-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane (PubChem CID 166588854) has the molecular formula C60H40N2OSi
and a molecular weight of 833.08 g/mol. Its IUPAC name is [3-[3-(2-dibenzofuran-1-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane.
Molecular Properties
| Compound Name | [3-[3-(2-dibenzofuran-1-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane |
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| PubChem CID | 166588854 |
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| Molecular Formula | C60H40N2OSi |
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| Molecular Weight | 833.08 g/mol |
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| Exact Mass | 832.29 |
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| IUPAC Name | [3-[3-(2-dibenzofuran-1-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane |
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| SMILES | c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccc(-c7cccc8oc9ccccc9c78)cc65)ccc43)c2)cc1 |
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| InChI | InChI=1S/C60H40N2OSi/c1-4-19-44(20-5-1)64(45-21-6-2-7-22-45,46-23-8-3-9-24-46)47-25-16-18-42(39-47)61-55-31-14-11-27-50(55)53-40-43(35-37-56(53)61)62-54-30-13-10-26-49(54)51-36-34-41(38-57(51)62)48-29-17-33-59-60(48)52-28-12-15-32-58(52)63-59/h1-40H |
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| InChIKey | DEQZNDRBPVVJCP-UHFFFAOYSA-N |
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| XLogP | 12.82 |
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| TPSA | 23.00 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 | 833.08 |
| LogP ≤ 5 | 12.82 |
| 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-[3-(2-dibenzofuran-1-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane?
The IUPAC name of [3-[3-(2-dibenzofuran-1-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane (CID 166588854) is [3-[3-(2-dibenzofuran-1-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane.
What is the SMILES notation for [3-[3-(2-dibenzofuran-1-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane?
The canonical SMILES for [3-[3-(2-dibenzofuran-1-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccc(-c7cccc8oc9ccccc9c78)cc65)ccc43)c2)cc1.
What is the InChIKey of [3-[3-(2-dibenzofuran-1-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane?
The InChIKey is DEQZNDRBPVVJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2OSi/c1-4-19-44(20-5-1)64(45-21-6-2-7-22-45,46-23-8-3-9-24-46)47-25-16-18-42(39-47)61-55-31-14-11-27-50(55)53-40-43(35-37-56(53)61)62-54-30-13-10-26-49(54)51-36-34-41(38-57(51)62)48-29-17-33-59-60(48)52-28-12-15-32-58(52)63-59/h1-40H.
What are the key properties of [3-[3-(2-dibenzofuran-1-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane?
[3-[3-(2-dibenzofuran-1-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane has a molecular weight of 833.08 g/mol, XLogP of 12.82, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(2-dibenzofuran-1-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane is sourced from PubChem (CID 166588854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).