About [4-(4-methylphenyl)phenyl]-triphenylsilane
[4-(4-methylphenyl)phenyl]-triphenylsilane (PubChem CID 123512514) has the molecular formula C31H26Si
and a molecular weight of 426.64 g/mol. Its IUPAC name is [4-(4-methylphenyl)phenyl]-triphenylsilane.
Molecular Properties
| Compound Name | [4-(4-methylphenyl)phenyl]-triphenylsilane |
|---|
| PubChem CID | 123512514 |
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| Molecular Formula | C31H26Si |
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| Molecular Weight | 426.64 g/mol |
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| Exact Mass | 426.18 |
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| IUPAC Name | [4-(4-methylphenyl)phenyl]-triphenylsilane |
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| SMILES | Cc1ccc(-c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1 |
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| InChI | InChI=1S/C31H26Si/c1-25-17-19-26(20-18-25)27-21-23-31(24-22-27)32(28-11-5-2-6-12-28,29-13-7-3-8-14-29)30-15-9-4-10-16-30/h2-24H,1H3 |
|---|
| InChIKey | RTPKETAOWUMWEA-UHFFFAOYSA-N |
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| XLogP | 5.04 |
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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 | 5 |
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| Heavy Atoms | 32 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 426.64 |
| LogP ≤ 5 | 5.04 |
| 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 [4-(4-methylphenyl)phenyl]-triphenylsilane?
The IUPAC name of [4-(4-methylphenyl)phenyl]-triphenylsilane (CID 123512514) is [4-(4-methylphenyl)phenyl]-triphenylsilane.
What is the SMILES notation for [4-(4-methylphenyl)phenyl]-triphenylsilane?
The canonical SMILES for [4-(4-methylphenyl)phenyl]-triphenylsilane is Cc1ccc(-c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of [4-(4-methylphenyl)phenyl]-triphenylsilane?
The InChIKey is RTPKETAOWUMWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26Si/c1-25-17-19-26(20-18-25)27-21-23-31(24-22-27)32(28-11-5-2-6-12-28,29-13-7-3-8-14-29)30-15-9-4-10-16-30/h2-24H,1H3.
What are the key properties of [4-(4-methylphenyl)phenyl]-triphenylsilane?
[4-(4-methylphenyl)phenyl]-triphenylsilane has a molecular weight of 426.64 g/mol, XLogP of 5.04, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylphenyl)phenyl]-triphenylsilane is sourced from PubChem (CID 123512514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).