About [[3,5-bis[bis(trimethylsilyl)methyl]-2-selanylideneboranylphenyl]-trimethylsilylmethyl]-trimethylsilane
[[3,5-bis[bis(trimethylsilyl)methyl]-2-selanylideneboranylphenyl]-trimethylsilylmethyl]-trimethylsilane (PubChem CID 100928740) has the molecular formula C27H59BSeSi6
and a molecular weight of 642.06 g/mol. Its IUPAC name is [[3,5-bis[bis(trimethylsilyl)methyl]-2-selanylideneboranylphenyl]-trimethylsilylmethyl]-trimethylsilane.
Molecular Properties
| Compound Name | [[3,5-bis[bis(trimethylsilyl)methyl]-2-selanylideneboranylphenyl]-trimethylsilylmethyl]-trimethylsilane |
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| PubChem CID | 100928740 |
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| Molecular Formula | C27H59BSeSi6 |
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| Molecular Weight | 642.06 g/mol |
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| Exact Mass | 642.25 |
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| IUPAC Name | [[3,5-bis[bis(trimethylsilyl)methyl]-2-selanylideneboranylphenyl]-trimethylsilylmethyl]-trimethylsilane |
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| SMILES | C[Si](C)(C)C(c1cc(C([Si](C)(C)C)[Si](C)(C)C)c(B=[Se])c(C([Si](C)(C)C)[Si](C)(C)C)c1)[Si](C)(C)C |
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| InChI | InChI=1S/C27H59BSeSi6/c1-30(2,3)25(31(4,5)6)21-19-22(26(32(7,8)9)33(10,11)12)24(28-29)23(20-21)27(34(13,14)15)35(16,17)18/h19-20,25-27H,1-18H3 |
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| InChIKey | LDMCYEABBCDYEG-UHFFFAOYSA-N |
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| XLogP | 8.61 |
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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 | 10 |
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| Heavy Atoms | 35 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 642.06 |
| LogP ≤ 5 | 8.61 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
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 [[3,5-bis[bis(trimethylsilyl)methyl]-2-selanylideneboranylphenyl]-trimethylsilylmethyl]-trimethylsilane?
The IUPAC name of [[3,5-bis[bis(trimethylsilyl)methyl]-2-selanylideneboranylphenyl]-trimethylsilylmethyl]-trimethylsilane (CID 100928740) is [[3,5-bis[bis(trimethylsilyl)methyl]-2-selanylideneboranylphenyl]-trimethylsilylmethyl]-trimethylsilane.
What is the SMILES notation for [[3,5-bis[bis(trimethylsilyl)methyl]-2-selanylideneboranylphenyl]-trimethylsilylmethyl]-trimethylsilane?
The canonical SMILES for [[3,5-bis[bis(trimethylsilyl)methyl]-2-selanylideneboranylphenyl]-trimethylsilylmethyl]-trimethylsilane is C[Si](C)(C)C(c1cc(C([Si](C)(C)C)[Si](C)(C)C)c(B=[Se])c(C([Si](C)(C)C)[Si](C)(C)C)c1)[Si](C)(C)C.
What is the InChIKey of [[3,5-bis[bis(trimethylsilyl)methyl]-2-selanylideneboranylphenyl]-trimethylsilylmethyl]-trimethylsilane?
The InChIKey is LDMCYEABBCDYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H59BSeSi6/c1-30(2,3)25(31(4,5)6)21-19-22(26(32(7,8)9)33(10,11)12)24(28-29)23(20-21)27(34(13,14)15)35(16,17)18/h19-20,25-27H,1-18H3.
What are the key properties of [[3,5-bis[bis(trimethylsilyl)methyl]-2-selanylideneboranylphenyl]-trimethylsilylmethyl]-trimethylsilane?
[[3,5-bis[bis(trimethylsilyl)methyl]-2-selanylideneboranylphenyl]-trimethylsilylmethyl]-trimethylsilane has a molecular weight of 642.06 g/mol, XLogP of 8.61, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [[3,5-bis[bis(trimethylsilyl)methyl]-2-selanylideneboranylphenyl]-trimethylsilylmethyl]-trimethylsilane is sourced from PubChem (CID 100928740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).