C54H39FN2Si — CID 59720545
9-(4-fluorophenyl)-N-phenyl-N-(4-phenylphenyl)-6-triphenylsilylcarbazol-3-amine (PubChem CID 59720545) has the molecular formula C54H39FN2Si and a molecular weight of 763.00 g/mol. Its IUPAC name is 9-(4-fluorophenyl)-N-phenyl-N-(4-phenylphenyl)-6-triphenylsilylcarbazol-3-amine.
| Compound Name | 9-(4-fluorophenyl)-N-phenyl-N-(4-phenylphenyl)-6-triphenylsilylcarbazol-3-amine |
|---|---|
| PubChem CID | 59720545 |
| Molecular Formula | C54H39FN2Si |
| Molecular Weight | 763.00 g/mol |
| Exact Mass | 762.29 |
| IUPAC Name | 9-(4-fluorophenyl)-N-phenyl-N-(4-phenylphenyl)-6-triphenylsilylcarbazol-3-amine |
| SMILES | Fc1ccc(-n2c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc3c3cc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)ccc32)cc1 |
| InChI | InChI=1S/C54H39FN2Si/c55-42-28-32-45(33-29-42)57-53-36-34-46(56(43-18-8-2-9-19-43)44-30-26-41(27-31-44)40-16-6-1-7-17-40)38-51(53)52-39-50(35-37-54(52)57)58(47-20-10-3-11-21-47,48-22-12-4-13-23-48)49-24-14-5-15-25-49/h1-39H |
| InChIKey | RFGKHNNPIUTPNA-UHFFFAOYSA-N |
| XLogP | 11.44 |
| TPSA | 8.17 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Heavy Atoms | 58 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 763.00 |
| LogP ≤ 5 | 11.44 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'} |
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