About 9-(4-fluorophenyl)-N-(4-phenoxyphenyl)-N-(9-phenylcarbazol-3-yl)-6-triphenylsilylcarbazol-3-amine
9-(4-fluorophenyl)-N-(4-phenoxyphenyl)-N-(9-phenylcarbazol-3-yl)-6-triphenylsilylcarbazol-3-amine (PubChem CID 59720546) has the molecular formula C66H46FN3OSi
and a molecular weight of 944.20 g/mol. Its IUPAC name is 9-(4-fluorophenyl)-N-(4-phenoxyphenyl)-N-(9-phenylcarbazol-3-yl)-6-triphenylsilylcarbazol-3-amine.
Molecular Properties
| Compound Name | 9-(4-fluorophenyl)-N-(4-phenoxyphenyl)-N-(9-phenylcarbazol-3-yl)-6-triphenylsilylcarbazol-3-amine |
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| PubChem CID | 59720546 |
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| Molecular Formula | C66H46FN3OSi |
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| Molecular Weight | 944.20 g/mol |
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| Exact Mass | 943.34 |
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| IUPAC Name | 9-(4-fluorophenyl)-N-(4-phenoxyphenyl)-N-(9-phenylcarbazol-3-yl)-6-triphenylsilylcarbazol-3-amine |
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| SMILES | Fc1ccc(-n2c3ccc(N(c4ccc(Oc5ccccc5)cc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3c3cc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)ccc32)cc1 |
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| InChI | InChI=1S/C66H46FN3OSi/c67-47-30-32-50(33-31-47)70-65-42-37-52(45-61(65)62-46-58(40-43-66(62)70)72(55-22-10-3-11-23-55,56-24-12-4-13-25-56)57-26-14-5-15-27-57)68(49-34-38-54(39-35-49)71-53-20-8-2-9-21-53)51-36-41-64-60(44-51)59-28-16-17-29-63(59)69(64)48-18-6-1-7-19-48/h1-46H |
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| InChIKey | NOAXRNOBTLQXCQ-UHFFFAOYSA-N |
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| XLogP | 14.66 |
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| TPSA | 22.33 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 11 |
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| Heavy Atoms | 72 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 944.20 |
| LogP ≤ 5 | 14.66 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
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 9-(4-fluorophenyl)-N-(4-phenoxyphenyl)-N-(9-phenylcarbazol-3-yl)-6-triphenylsilylcarbazol-3-amine?
The IUPAC name of 9-(4-fluorophenyl)-N-(4-phenoxyphenyl)-N-(9-phenylcarbazol-3-yl)-6-triphenylsilylcarbazol-3-amine (CID 59720546) is 9-(4-fluorophenyl)-N-(4-phenoxyphenyl)-N-(9-phenylcarbazol-3-yl)-6-triphenylsilylcarbazol-3-amine.
What is the SMILES notation for 9-(4-fluorophenyl)-N-(4-phenoxyphenyl)-N-(9-phenylcarbazol-3-yl)-6-triphenylsilylcarbazol-3-amine?
The canonical SMILES for 9-(4-fluorophenyl)-N-(4-phenoxyphenyl)-N-(9-phenylcarbazol-3-yl)-6-triphenylsilylcarbazol-3-amine is Fc1ccc(-n2c3ccc(N(c4ccc(Oc5ccccc5)cc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3c3cc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)ccc32)cc1.
What is the InChIKey of 9-(4-fluorophenyl)-N-(4-phenoxyphenyl)-N-(9-phenylcarbazol-3-yl)-6-triphenylsilylcarbazol-3-amine?
The InChIKey is NOAXRNOBTLQXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H46FN3OSi/c67-47-30-32-50(33-31-47)70-65-42-37-52(45-61(65)62-46-58(40-43-66(62)70)72(55-22-10-3-11-23-55,56-24-12-4-13-25-56)57-26-14-5-15-27-57)68(49-34-38-54(39-35-49)71-53-20-8-2-9-21-53)51-36-41-64-60(44-51)59-28-16-17-29-63(59)69(64)48-18-6-1-7-19-48/h1-46H.
What are the key properties of 9-(4-fluorophenyl)-N-(4-phenoxyphenyl)-N-(9-phenylcarbazol-3-yl)-6-triphenylsilylcarbazol-3-amine?
9-(4-fluorophenyl)-N-(4-phenoxyphenyl)-N-(9-phenylcarbazol-3-yl)-6-triphenylsilylcarbazol-3-amine has a molecular weight of 944.20 g/mol, XLogP of 14.66, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-fluorophenyl)-N-(4-phenoxyphenyl)-N-(9-phenylcarbazol-3-yl)-6-triphenylsilylcarbazol-3-amine is sourced from PubChem (CID 59720546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).