About [8-carbazol-9-yl-9-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-1-yl]-triphenylsilane
[8-carbazol-9-yl-9-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-1-yl]-triphenylsilane (PubChem CID 170515630) has the molecular formula C66H45N3Si
and a molecular weight of 908.19 g/mol. Its IUPAC name is [8-carbazol-9-yl-9-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-1-yl]-triphenylsilane.
Molecular Properties
| Compound Name | [8-carbazol-9-yl-9-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-1-yl]-triphenylsilane |
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| PubChem CID | 170515630 |
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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 | [8-carbazol-9-yl-9-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-1-yl]-triphenylsilane |
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| SMILES | c1ccc(-c2cccc(-n3c4ccccc4c4ccc(-n5c6c(-n7c8ccccc8c8ccccc87)cccc6c6cccc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)c65)cc43)c2)cc1 |
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| InChI | InChI=1S/C66H45N3Si/c1-5-22-46(23-6-1)47-24-19-25-48(44-47)67-59-37-16-13-34-55(59)56-43-42-49(45-63(56)67)68-65-57(35-20-40-62(65)69-60-38-17-14-32-53(60)54-33-15-18-39-61(54)69)58-36-21-41-64(66(58)68)70(50-26-7-2-8-27-50,51-28-9-3-10-29-51)52-30-11-4-12-31-52/h1-45H |
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| InChIKey | IYYDWWARWWTMKI-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 [8-carbazol-9-yl-9-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-1-yl]-triphenylsilane?
The IUPAC name of [8-carbazol-9-yl-9-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-1-yl]-triphenylsilane (CID 170515630) is [8-carbazol-9-yl-9-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-1-yl]-triphenylsilane.
What is the SMILES notation for [8-carbazol-9-yl-9-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-1-yl]-triphenylsilane?
The canonical SMILES for [8-carbazol-9-yl-9-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-1-yl]-triphenylsilane is c1ccc(-c2cccc(-n3c4ccccc4c4ccc(-n5c6c(-n7c8ccccc8c8ccccc87)cccc6c6cccc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)c65)cc43)c2)cc1.
What is the InChIKey of [8-carbazol-9-yl-9-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-1-yl]-triphenylsilane?
The InChIKey is IYYDWWARWWTMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H45N3Si/c1-5-22-46(23-6-1)47-24-19-25-48(44-47)67-59-37-16-13-34-55(59)56-43-42-49(45-63(56)67)68-65-57(35-20-40-62(65)69-60-38-17-14-32-53(60)54-33-15-18-39-61(54)69)58-36-21-41-64(66(58)68)70(50-26-7-2-8-27-50,51-28-9-3-10-29-51)52-30-11-4-12-31-52/h1-45H.
What are the key properties of [8-carbazol-9-yl-9-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-1-yl]-triphenylsilane?
[8-carbazol-9-yl-9-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-1-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 [8-carbazol-9-yl-9-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-1-yl]-triphenylsilane is sourced from PubChem (CID 170515630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).