About triphenyl-[2-phenyl-9-[9-(2-phenylphenyl)carbazol-2-yl]carbazol-1-yl]silane
triphenyl-[2-phenyl-9-[9-(2-phenylphenyl)carbazol-2-yl]carbazol-1-yl]silane (PubChem CID 170516298) has the molecular formula C60H42N2Si
and a molecular weight of 819.10 g/mol. Its IUPAC name is triphenyl-[2-phenyl-9-[9-(2-phenylphenyl)carbazol-2-yl]carbazol-1-yl]silane.
Molecular Properties
| Compound Name | triphenyl-[2-phenyl-9-[9-(2-phenylphenyl)carbazol-2-yl]carbazol-1-yl]silane |
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| PubChem CID | 170516298 |
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| Molecular Formula | C60H42N2Si |
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| Molecular Weight | 819.10 g/mol |
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| Exact Mass | 818.31 |
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| IUPAC Name | triphenyl-[2-phenyl-9-[9-(2-phenylphenyl)carbazol-2-yl]carbazol-1-yl]silane |
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| SMILES | c1ccc(-c2ccccc2-n2c3ccccc3c3ccc(-n4c5ccccc5c5ccc(-c6ccccc6)c([Si](c6ccccc6)(c6ccccc6)c6ccccc6)c54)cc32)cc1 |
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| InChI | InChI=1S/C60H42N2Si/c1-6-22-43(23-7-1)49-32-16-19-35-55(49)62-57-37-21-17-33-51(57)53-39-38-45(42-58(53)62)61-56-36-20-18-34-52(56)54-41-40-50(44-24-8-2-9-25-44)60(59(54)61)63(46-26-10-3-11-27-46,47-28-12-4-13-29-47)48-30-14-5-15-31-48/h1-42H |
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| InChIKey | IDBOEDDUECOJLY-UHFFFAOYSA-N |
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| XLogP | 12.59 |
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| TPSA | 9.86 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 63 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 819.10 |
| LogP ≤ 5 | 12.59 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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-[2-phenyl-9-[9-(2-phenylphenyl)carbazol-2-yl]carbazol-1-yl]silane?
The IUPAC name of triphenyl-[2-phenyl-9-[9-(2-phenylphenyl)carbazol-2-yl]carbazol-1-yl]silane (CID 170516298) is triphenyl-[2-phenyl-9-[9-(2-phenylphenyl)carbazol-2-yl]carbazol-1-yl]silane.
What is the SMILES notation for triphenyl-[2-phenyl-9-[9-(2-phenylphenyl)carbazol-2-yl]carbazol-1-yl]silane?
The canonical SMILES for triphenyl-[2-phenyl-9-[9-(2-phenylphenyl)carbazol-2-yl]carbazol-1-yl]silane is c1ccc(-c2ccccc2-n2c3ccccc3c3ccc(-n4c5ccccc5c5ccc(-c6ccccc6)c([Si](c6ccccc6)(c6ccccc6)c6ccccc6)c54)cc32)cc1.
What is the InChIKey of triphenyl-[2-phenyl-9-[9-(2-phenylphenyl)carbazol-2-yl]carbazol-1-yl]silane?
The InChIKey is IDBOEDDUECOJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42N2Si/c1-6-22-43(23-7-1)49-32-16-19-35-55(49)62-57-37-21-17-33-51(57)53-39-38-45(42-58(53)62)61-56-36-20-18-34-52(56)54-41-40-50(44-24-8-2-9-25-44)60(59(54)61)63(46-26-10-3-11-27-46,47-28-12-4-13-29-47)48-30-14-5-15-31-48/h1-42H.
What are the key properties of triphenyl-[2-phenyl-9-[9-(2-phenylphenyl)carbazol-2-yl]carbazol-1-yl]silane?
triphenyl-[2-phenyl-9-[9-(2-phenylphenyl)carbazol-2-yl]carbazol-1-yl]silane has a molecular weight of 819.10 g/mol, XLogP of 12.59, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[2-phenyl-9-[9-(2-phenylphenyl)carbazol-2-yl]carbazol-1-yl]silane is sourced from PubChem (CID 170516298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).