About triphenyl-[3-[4-[1-(3-phenylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
triphenyl-[3-[4-[1-(3-phenylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane (PubChem CID 166588340) has the molecular formula C66H45N3Si
and a molecular weight of 908.19 g/mol. Its IUPAC name is triphenyl-[3-[4-[1-(3-phenylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane.
Molecular Properties
| Compound Name | triphenyl-[3-[4-[1-(3-phenylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane |
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| PubChem CID | 166588340 |
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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 | triphenyl-[3-[4-[1-(3-phenylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane |
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| SMILES | c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cccc3c4ccccc4n(-c4cccc5c4c4ccccc4n5-c4cccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)c4)c23)cc1 |
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| InChI | InChI=1S/C66H45N3Si/c1-5-22-46(23-6-1)47-42-43-61-57(44-47)54-33-14-16-36-58(54)68(61)64-41-20-35-55-53-32-13-17-37-59(53)69(66(55)64)63-40-21-39-62-65(63)56-34-15-18-38-60(56)67(62)48-24-19-31-52(45-48)70(49-25-7-2-8-26-49,50-27-9-3-10-28-50)51-29-11-4-12-30-51/h1-45H |
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| InChIKey | OQTMXRVSIVPCFU-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 triphenyl-[3-[4-[1-(3-phenylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane?
The IUPAC name of triphenyl-[3-[4-[1-(3-phenylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane (CID 166588340) is triphenyl-[3-[4-[1-(3-phenylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane.
What is the SMILES notation for triphenyl-[3-[4-[1-(3-phenylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane?
The canonical SMILES for triphenyl-[3-[4-[1-(3-phenylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane is c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cccc3c4ccccc4n(-c4cccc5c4c4ccccc4n5-c4cccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)c4)c23)cc1.
What is the InChIKey of triphenyl-[3-[4-[1-(3-phenylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane?
The InChIKey is OQTMXRVSIVPCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H45N3Si/c1-5-22-46(23-6-1)47-42-43-61-57(44-47)54-33-14-16-36-58(54)68(61)64-41-20-35-55-53-32-13-17-37-59(53)69(66(55)64)63-40-21-39-62-65(63)56-34-15-18-38-60(56)67(62)48-24-19-31-52(45-48)70(49-25-7-2-8-26-49,50-27-9-3-10-28-50)51-29-11-4-12-30-51/h1-45H.
What are the key properties of triphenyl-[3-[4-[1-(3-phenylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane?
triphenyl-[3-[4-[1-(3-phenylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane 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 triphenyl-[3-[4-[1-(3-phenylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane is sourced from PubChem (CID 166588340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).