About methyl-[4-[[methyl-bis[3-(trifluoromethyl)phenyl]silyl]-diphenylsilyl]phenyl]-diphenylsilane
methyl-[4-[[methyl-bis[3-(trifluoromethyl)phenyl]silyl]-diphenylsilyl]phenyl]-diphenylsilane (PubChem CID 54125250) has the molecular formula C46H38F6Si3
and a molecular weight of 789.06 g/mol. Its IUPAC name is methyl-[4-[[methyl-bis[3-(trifluoromethyl)phenyl]silyl]-diphenylsilyl]phenyl]-diphenylsilane.
Molecular Properties
| Compound Name | methyl-[4-[[methyl-bis[3-(trifluoromethyl)phenyl]silyl]-diphenylsilyl]phenyl]-diphenylsilane |
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| PubChem CID | 54125250 |
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| Molecular Formula | C46H38F6Si3 |
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| Molecular Weight | 789.06 g/mol |
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| Exact Mass | 788.22 |
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| IUPAC Name | methyl-[4-[[methyl-bis[3-(trifluoromethyl)phenyl]silyl]-diphenylsilyl]phenyl]-diphenylsilane |
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| SMILES | C[Si](c1ccccc1)(c1ccccc1)c1ccc([Si](c2ccccc2)(c2ccccc2)[Si](C)(c2cccc(C(F)(F)F)c2)c2cccc(C(F)(F)F)c2)cc1 |
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| InChI | InChI=1S/C46H38F6Si3/c1-53(37-19-7-3-8-20-37,38-21-9-4-10-22-38)39-29-31-42(32-30-39)55(40-23-11-5-12-24-40,41-25-13-6-14-26-41)54(2,43-27-15-17-35(33-43)45(47,48)49)44-28-16-18-36(34-44)46(50,51)52/h3-34H,1-2H3 |
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| InChIKey | NQMLVTRYLRTHPC-UHFFFAOYSA-N |
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| XLogP | 7.27 |
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| TPSA | 0.00 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | |
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| Rotatable Bonds | 9 |
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| Heavy Atoms | 55 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 789.06 |
| LogP ≤ 5 | 7.27 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
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 methyl-[4-[[methyl-bis[3-(trifluoromethyl)phenyl]silyl]-diphenylsilyl]phenyl]-diphenylsilane?
The IUPAC name of methyl-[4-[[methyl-bis[3-(trifluoromethyl)phenyl]silyl]-diphenylsilyl]phenyl]-diphenylsilane (CID 54125250) is methyl-[4-[[methyl-bis[3-(trifluoromethyl)phenyl]silyl]-diphenylsilyl]phenyl]-diphenylsilane.
What is the SMILES notation for methyl-[4-[[methyl-bis[3-(trifluoromethyl)phenyl]silyl]-diphenylsilyl]phenyl]-diphenylsilane?
The canonical SMILES for methyl-[4-[[methyl-bis[3-(trifluoromethyl)phenyl]silyl]-diphenylsilyl]phenyl]-diphenylsilane is C[Si](c1ccccc1)(c1ccccc1)c1ccc([Si](c2ccccc2)(c2ccccc2)[Si](C)(c2cccc(C(F)(F)F)c2)c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of methyl-[4-[[methyl-bis[3-(trifluoromethyl)phenyl]silyl]-diphenylsilyl]phenyl]-diphenylsilane?
The InChIKey is NQMLVTRYLRTHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H38F6Si3/c1-53(37-19-7-3-8-20-37,38-21-9-4-10-22-38)39-29-31-42(32-30-39)55(40-23-11-5-12-24-40,41-25-13-6-14-26-41)54(2,43-27-15-17-35(33-43)45(47,48)49)44-28-16-18-36(34-44)46(50,51)52/h3-34H,1-2H3.
What are the key properties of methyl-[4-[[methyl-bis[3-(trifluoromethyl)phenyl]silyl]-diphenylsilyl]phenyl]-diphenylsilane?
methyl-[4-[[methyl-bis[3-(trifluoromethyl)phenyl]silyl]-diphenylsilyl]phenyl]-diphenylsilane has a molecular weight of 789.06 g/mol, XLogP of 7.27, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[4-[[methyl-bis[3-(trifluoromethyl)phenyl]silyl]-diphenylsilyl]phenyl]-diphenylsilane is sourced from PubChem (CID 54125250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).