C53H40N2Si — CID 59720567
N-(4-methylphenyl)-N-naphthalen-2-yl-9-phenyl-6-triphenylsilylcarbazol-3-amine (PubChem CID 59720567) has the molecular formula C53H40N2Si and a molecular weight of 733.00 g/mol. Its IUPAC name is N-(4-methylphenyl)-N-naphthalen-2-yl-9-phenyl-6-triphenylsilylcarbazol-3-amine.
| Compound Name | N-(4-methylphenyl)-N-naphthalen-2-yl-9-phenyl-6-triphenylsilylcarbazol-3-amine |
|---|---|
| PubChem CID | 59720567 |
| Molecular Formula | C53H40N2Si |
| Molecular Weight | 733.00 g/mol |
| Exact Mass | 732.30 |
| IUPAC Name | N-(4-methylphenyl)-N-naphthalen-2-yl-9-phenyl-6-triphenylsilylcarbazol-3-amine |
| SMILES | Cc1ccc(N(c2ccc3ccccc3c2)c2ccc3c(c2)c2cc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)ccc2n3-c2ccccc2)cc1 |
| InChI | InChI=1S/C53H40N2Si/c1-39-26-29-43(30-27-39)54(44-31-28-40-16-14-15-17-41(40)36-44)45-32-34-52-50(37-45)51-38-49(33-35-53(51)55(52)42-18-6-2-7-19-42)56(46-20-8-3-9-21-46,47-22-10-4-11-23-47)48-24-12-5-13-25-48/h2-38H,1H3 |
| InChIKey | DYVQFHFNTMSZLY-UHFFFAOYSA-N |
| XLogP | 11.09 |
| TPSA | 8.17 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Heavy Atoms | 56 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 733.00 |
| LogP ≤ 5 | 11.09 |
| 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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