About [1-carbazol-9-yl-9-[9-(2-phenylphenyl)carbazol-2-yl]carbazol-2-yl]-triphenylsilane
[1-carbazol-9-yl-9-[9-(2-phenylphenyl)carbazol-2-yl]carbazol-2-yl]-triphenylsilane (PubChem CID 170514979) has the molecular formula C66H45N3Si
and a molecular weight of 908.19 g/mol. Its IUPAC name is [1-carbazol-9-yl-9-[9-(2-phenylphenyl)carbazol-2-yl]carbazol-2-yl]-triphenylsilane.
Molecular Properties
| Compound Name | [1-carbazol-9-yl-9-[9-(2-phenylphenyl)carbazol-2-yl]carbazol-2-yl]-triphenylsilane |
|---|
| PubChem CID | 170514979 |
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| Molecular Formula | C66H45N3Si |
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| Molecular Weight | 908.19 g/mol |
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| Exact Mass | 907.34 |
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| IUPAC Name | [1-carbazol-9-yl-9-[9-(2-phenylphenyl)carbazol-2-yl]carbazol-2-yl]-triphenylsilane |
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| SMILES | c1ccc(-c2ccccc2-n2c3ccccc3c3ccc(-n4c5ccccc5c5ccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)c(-n6c7ccccc7c7ccccc76)c54)cc32)cc1 |
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| InChI | InChI=1S/C66H45N3Si/c1-5-23-46(24-6-1)51-31-13-18-36-58(51)68-60-38-20-14-34-54(60)56-42-41-47(45-63(56)68)67-59-37-19-17-35-55(59)57-43-44-64(66(65(57)67)69-61-39-21-15-32-52(61)53-33-16-22-40-62(53)69)70(48-25-7-2-8-26-48,49-27-9-3-10-28-49)50-29-11-4-12-30-50/h1-45H |
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| InChIKey | OUUHARONDAEGOY-UHFFFAOYSA-N |
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| XLogP | 14.02 |
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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 | 8 |
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| Heavy Atoms | 70 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 908.19 |
| LogP ≤ 5 | 14.02 |
| 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 [1-carbazol-9-yl-9-[9-(2-phenylphenyl)carbazol-2-yl]carbazol-2-yl]-triphenylsilane?
The IUPAC name of [1-carbazol-9-yl-9-[9-(2-phenylphenyl)carbazol-2-yl]carbazol-2-yl]-triphenylsilane (CID 170514979) is [1-carbazol-9-yl-9-[9-(2-phenylphenyl)carbazol-2-yl]carbazol-2-yl]-triphenylsilane.
What is the SMILES notation for [1-carbazol-9-yl-9-[9-(2-phenylphenyl)carbazol-2-yl]carbazol-2-yl]-triphenylsilane?
The canonical SMILES for [1-carbazol-9-yl-9-[9-(2-phenylphenyl)carbazol-2-yl]carbazol-2-yl]-triphenylsilane is c1ccc(-c2ccccc2-n2c3ccccc3c3ccc(-n4c5ccccc5c5ccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)c(-n6c7ccccc7c7ccccc76)c54)cc32)cc1.
What is the InChIKey of [1-carbazol-9-yl-9-[9-(2-phenylphenyl)carbazol-2-yl]carbazol-2-yl]-triphenylsilane?
The InChIKey is OUUHARONDAEGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H45N3Si/c1-5-23-46(24-6-1)51-31-13-18-36-58(51)68-60-38-20-14-34-54(60)56-42-41-47(45-63(56)68)67-59-37-19-17-35-55(59)57-43-44-64(66(65(57)67)69-61-39-21-15-32-52(61)53-33-16-22-40-62(53)69)70(48-25-7-2-8-26-48,49-27-9-3-10-28-49)50-29-11-4-12-30-50/h1-45H.
What are the key properties of [1-carbazol-9-yl-9-[9-(2-phenylphenyl)carbazol-2-yl]carbazol-2-yl]-triphenylsilane?
[1-carbazol-9-yl-9-[9-(2-phenylphenyl)carbazol-2-yl]carbazol-2-yl]-triphenylsilane has a molecular weight of 908.19 g/mol, XLogP of 14.02, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-carbazol-9-yl-9-[9-(2-phenylphenyl)carbazol-2-yl]carbazol-2-yl]-triphenylsilane is sourced from PubChem (CID 170514979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).