About [[bis(trimethylsilyl)amino]-[[bis(trimethylsilyl)amino]-diphenylsilyl]-phenylsilyl]benzene
[[bis(trimethylsilyl)amino]-[[bis(trimethylsilyl)amino]-diphenylsilyl]-phenylsilyl]benzene (PubChem CID 15414346) has the molecular formula C36H56N2Si6
and a molecular weight of 685.37 g/mol. Its IUPAC name is [[bis(trimethylsilyl)amino]-[[bis(trimethylsilyl)amino]-diphenylsilyl]-phenylsilyl]benzene.
Molecular Properties
| Compound Name | [[bis(trimethylsilyl)amino]-[[bis(trimethylsilyl)amino]-diphenylsilyl]-phenylsilyl]benzene |
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| PubChem CID | 15414346 |
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| Molecular Formula | C36H56N2Si6 |
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| Molecular Weight | 685.37 g/mol |
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| Exact Mass | 684.31 |
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| IUPAC Name | [[bis(trimethylsilyl)amino]-[[bis(trimethylsilyl)amino]-diphenylsilyl]-phenylsilyl]benzene |
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| SMILES | C[Si](C)(C)N([Si](C)(C)C)[Si](c1ccccc1)(c1ccccc1)[Si](c1ccccc1)(c1ccccc1)N([Si](C)(C)C)[Si](C)(C)C |
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| InChI | InChI=1S/C36H56N2Si6/c1-39(2,3)37(40(4,5)6)43(33-25-17-13-18-26-33,34-27-19-14-20-28-34)44(35-29-21-15-22-30-35,36-31-23-16-24-32-36)38(41(7,8)9)42(10,11)12/h13-32H,1-12H3 |
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| InChIKey | TYVAIKBKEFTCQY-UHFFFAOYSA-N |
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| XLogP | 7.53 |
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| TPSA | 6.48 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 11 |
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| Heavy Atoms | 44 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 685.37 |
| LogP ≤ 5 | 7.53 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [[bis(trimethylsilyl)amino]-[[bis(trimethylsilyl)amino]-diphenylsilyl]-phenylsilyl]benzene?
The IUPAC name of [[bis(trimethylsilyl)amino]-[[bis(trimethylsilyl)amino]-diphenylsilyl]-phenylsilyl]benzene (CID 15414346) is [[bis(trimethylsilyl)amino]-[[bis(trimethylsilyl)amino]-diphenylsilyl]-phenylsilyl]benzene.
What is the SMILES notation for [[bis(trimethylsilyl)amino]-[[bis(trimethylsilyl)amino]-diphenylsilyl]-phenylsilyl]benzene?
The canonical SMILES for [[bis(trimethylsilyl)amino]-[[bis(trimethylsilyl)amino]-diphenylsilyl]-phenylsilyl]benzene is C[Si](C)(C)N([Si](C)(C)C)[Si](c1ccccc1)(c1ccccc1)[Si](c1ccccc1)(c1ccccc1)N([Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of [[bis(trimethylsilyl)amino]-[[bis(trimethylsilyl)amino]-diphenylsilyl]-phenylsilyl]benzene?
The InChIKey is TYVAIKBKEFTCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H56N2Si6/c1-39(2,3)37(40(4,5)6)43(33-25-17-13-18-26-33,34-27-19-14-20-28-34)44(35-29-21-15-22-30-35,36-31-23-16-24-32-36)38(41(7,8)9)42(10,11)12/h13-32H,1-12H3.
What are the key properties of [[bis(trimethylsilyl)amino]-[[bis(trimethylsilyl)amino]-diphenylsilyl]-phenylsilyl]benzene?
[[bis(trimethylsilyl)amino]-[[bis(trimethylsilyl)amino]-diphenylsilyl]-phenylsilyl]benzene has a molecular weight of 685.37 g/mol, XLogP of 7.53, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[bis(trimethylsilyl)amino]-[[bis(trimethylsilyl)amino]-diphenylsilyl]-phenylsilyl]benzene is sourced from PubChem (CID 15414346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).