About tris(2-phenylethyl)silane
tris(2-phenylethyl)silane (PubChem CID 4625041) has the molecular formula C24H28Si
and a molecular weight of 344.57 g/mol. Its IUPAC name is tris(2-phenylethyl)silane.
Molecular Properties
| Compound Name | tris(2-phenylethyl)silane |
| PubChem CID | 4625041 |
| Molecular Formula | C24H28Si |
| Molecular Weight | 344.57 g/mol |
| Exact Mass | 344.20 |
| IUPAC Name | tris(2-phenylethyl)silane |
| SMILES | c1ccc(CC[SiH](CCc2ccccc2)CCc2ccccc2)cc1 |
| InChI | InChI=1S/C24H28Si/c1-4-10-22(11-5-1)16-19-25(20-17-23-12-6-2-7-13-23)21-18-24-14-8-3-9-15-24/h1-15,25H,16-21H2 |
| InChIKey | OQDZZSNMQPRDGZ-UHFFFAOYSA-N |
| XLogP | 5.94 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 9 |
| Heavy Atoms | 25 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 344.57 |
| LogP ≤ 5 | 5.94 |
| 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 tris(2-phenylethyl)silane?
The IUPAC name of tris(2-phenylethyl)silane (CID 4625041) is tris(2-phenylethyl)silane.
What is the SMILES notation for tris(2-phenylethyl)silane?
The canonical SMILES for tris(2-phenylethyl)silane is c1ccc(CC[SiH](CCc2ccccc2)CCc2ccccc2)cc1.
What is the InChIKey of tris(2-phenylethyl)silane?
The InChIKey is OQDZZSNMQPRDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28Si/c1-4-10-22(11-5-1)16-19-25(20-17-23-12-6-2-7-13-23)21-18-24-14-8-3-9-15-24/h1-15,25H,16-21H2.
What are the key properties of tris(2-phenylethyl)silane?
tris(2-phenylethyl)silane has a molecular weight of 344.57 g/mol, XLogP of 5.94, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-phenylethyl)silane is sourced from PubChem (CID 4625041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).