C60H64B2O9Si4 — CID 100993384
[diphenyl-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]silyl]oxy-[[diphenyl-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]silyl]oxy-diphenylsilyl]oxy-diphenylsilane (PubChem CID 100993384) has the molecular formula C60H64B2O9Si4 and a molecular weight of 1063.13 g/mol. Its IUPAC name is [diphenyl-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]silyl]oxy-[[diphenyl-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]silyl]oxy-diphenylsilyl]oxy-diphenylsilane.
| Compound Name | [diphenyl-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]silyl]oxy-[[diphenyl-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]silyl]oxy-diphenylsilyl]oxy-diphenylsilane |
|---|---|
| PubChem CID | 100993384 |
| Molecular Formula | C60H64B2O9Si4 |
| Molecular Weight | 1063.13 g/mol |
| Exact Mass | 1062.38 |
| IUPAC Name | [diphenyl-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]silyl]oxy-[[diphenyl-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]silyl]oxy-diphenylsilyl]oxy-diphenylsilane |
| SMILES | CC1(C)OB(O[Si](O[Si](O[Si](O[Si](OB2OC(C)(C)C(C)(C)O2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)OC1(C)C |
| InChI | InChI=1S/C60H64B2O9Si4/c1-57(2)58(3,4)64-61(63-57)67-72(49-33-17-9-18-34-49,50-35-19-10-20-36-50)69-74(53-41-25-13-26-42-53,54-43-27-14-28-44-54)71-75(55-45-29-15-30-46-55,56-47-31-16-32-48-56)70-73(51-37-21-11-22-38-51,52-39-23-12-24-40-52)68-62-65-59(5,6)60(7,8)66-62/h9-48H,1-8H3 |
| InChIKey | PGVCLEZEWSJACQ-UHFFFAOYSA-N |
| XLogP | 7.27 |
| TPSA | 83.07 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 9 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 75 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1063.13 |
| LogP ≤ 5 | 7.27 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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