About trimethyl-[4-(4-pyridin-2-ylphenyl)phenyl]silane
trimethyl-[4-(4-pyridin-2-ylphenyl)phenyl]silane (PubChem CID 157387060) has the molecular formula C20H21NSi
and a molecular weight of 303.48 g/mol. Its IUPAC name is trimethyl-[4-(4-pyridin-2-ylphenyl)phenyl]silane.
Molecular Properties
| Compound Name | trimethyl-[4-(4-pyridin-2-ylphenyl)phenyl]silane |
| PubChem CID | 157387060 |
| Molecular Formula | C20H21NSi |
| Molecular Weight | 303.48 g/mol |
| Exact Mass | 303.14 |
| IUPAC Name | trimethyl-[4-(4-pyridin-2-ylphenyl)phenyl]silane |
| SMILES | C[Si](C)(C)c1ccc(-c2ccc(-c3ccccn3)cc2)cc1 |
| InChI | InChI=1S/C20H21NSi/c1-22(2,3)19-13-11-17(12-14-19)16-7-9-18(10-8-16)20-6-4-5-15-21-20/h4-15H,1-3H3 |
| InChIKey | GNMFZVCUZWBHMU-UHFFFAOYSA-N |
| XLogP | 4.96 |
| TPSA | 12.89 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 22 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 303.48 |
| LogP ≤ 5 | 4.96 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
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 trimethyl-[4-(4-pyridin-2-ylphenyl)phenyl]silane?
The IUPAC name of trimethyl-[4-(4-pyridin-2-ylphenyl)phenyl]silane (CID 157387060) is trimethyl-[4-(4-pyridin-2-ylphenyl)phenyl]silane.
What is the SMILES notation for trimethyl-[4-(4-pyridin-2-ylphenyl)phenyl]silane?
The canonical SMILES for trimethyl-[4-(4-pyridin-2-ylphenyl)phenyl]silane is C[Si](C)(C)c1ccc(-c2ccc(-c3ccccn3)cc2)cc1.
What is the InChIKey of trimethyl-[4-(4-pyridin-2-ylphenyl)phenyl]silane?
The InChIKey is GNMFZVCUZWBHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NSi/c1-22(2,3)19-13-11-17(12-14-19)16-7-9-18(10-8-16)20-6-4-5-15-21-20/h4-15H,1-3H3.
What are the key properties of trimethyl-[4-(4-pyridin-2-ylphenyl)phenyl]silane?
trimethyl-[4-(4-pyridin-2-ylphenyl)phenyl]silane has a molecular weight of 303.48 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[4-(4-pyridin-2-ylphenyl)phenyl]silane is sourced from PubChem (CID 157387060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).