About triphenyl-[3-[2-[2-(2-triphenylsilylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
triphenyl-[3-[2-[2-(2-triphenylsilylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane (PubChem CID 166588700) has the molecular formula C78H55N3Si2
and a molecular weight of 1090.49 g/mol. Its IUPAC name is triphenyl-[3-[2-[2-(2-triphenylsilylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane.
Molecular Properties
| Compound Name | triphenyl-[3-[2-[2-(2-triphenylsilylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane |
| PubChem CID | 166588700 |
| Molecular Formula | C78H55N3Si2 |
| Molecular Weight | 1090.49 g/mol |
| Exact Mass | 1089.39 |
| IUPAC Name | triphenyl-[3-[2-[2-(2-triphenylsilylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane |
| SMILES | c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6ccc(-n7c8ccccc8c8ccc([Si](c9ccccc9)(c9ccccc9)c9ccccc9)cc87)cc65)cc43)c2)cc1 |
| InChI | InChI=1S/C78H55N3Si2/c1-7-27-59(28-8-1)82(60-29-9-2-10-30-60,61-31-11-3-12-32-61)65-39-25-26-56(52-65)79-73-43-22-19-40-67(73)70-49-46-57(53-76(70)79)80-74-44-23-20-41-68(74)71-50-47-58(54-77(71)80)81-75-45-24-21-42-69(75)72-51-48-66(55-78(72)81)83(62-33-13-4-14-34-62,63-35-15-5-16-36-63)64-37-17-6-18-38-64/h1-55H |
| InChIKey | JIJBQLQJLSPTJN-UHFFFAOYSA-N |
| XLogP | 13.73 |
| TPSA | 14.79 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Heavy Atoms | 83 |
| Complexity | — |
Lipinski Rule of Five
2 violations
| Rule | Value |
| MW ≤ 500 | 1090.49 |
| LogP ≤ 5 | 13.73 |
| 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-[2-[2-(2-triphenylsilylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane?
The IUPAC name of triphenyl-[3-[2-[2-(2-triphenylsilylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane (CID 166588700) is triphenyl-[3-[2-[2-(2-triphenylsilylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane.
What is the SMILES notation for triphenyl-[3-[2-[2-(2-triphenylsilylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane?
The canonical SMILES for triphenyl-[3-[2-[2-(2-triphenylsilylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6ccc(-n7c8ccccc8c8ccc([Si](c9ccccc9)(c9ccccc9)c9ccccc9)cc87)cc65)cc43)c2)cc1.
What is the InChIKey of triphenyl-[3-[2-[2-(2-triphenylsilylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane?
The InChIKey is JIJBQLQJLSPTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H55N3Si2/c1-7-27-59(28-8-1)82(60-29-9-2-10-30-60,61-31-11-3-12-32-61)65-39-25-26-56(52-65)79-73-43-22-19-40-67(73)70-49-46-57(53-76(70)79)80-74-44-23-20-41-68(74)71-50-47-58(54-77(71)80)81-75-45-24-21-42-69(75)72-51-48-66(55-78(72)81)83(62-33-13-4-14-34-62,63-35-15-5-16-36-63)64-37-17-6-18-38-64/h1-55H.
What are the key properties of triphenyl-[3-[2-[2-(2-triphenylsilylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane?
triphenyl-[3-[2-[2-(2-triphenylsilylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane has a molecular weight of 1090.49 g/mol, XLogP of 13.73, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[3-[2-[2-(2-triphenylsilylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane is sourced from PubChem (CID 166588700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).