About trimethyl-[4-methyl-6-(3-phenylphenyl)-3-pyridinyl]silane
trimethyl-[4-methyl-6-(3-phenylphenyl)-3-pyridinyl]silane (PubChem CID 140710280) has the molecular formula C21H23NSi
and a molecular weight of 317.51 g/mol. Its IUPAC name is trimethyl-[4-methyl-6-(3-phenylphenyl)-3-pyridinyl]silane.
Molecular Properties
| Compound Name | trimethyl-[4-methyl-6-(3-phenylphenyl)-3-pyridinyl]silane |
| PubChem CID | 140710280 |
| Molecular Formula | C21H23NSi |
| Molecular Weight | 317.51 g/mol |
| Exact Mass | 317.16 |
| IUPAC Name | trimethyl-[4-methyl-6-(3-phenylphenyl)-3-pyridinyl]silane |
| SMILES | Cc1cc(-c2cccc(-c3ccccc3)c2)ncc1[Si](C)(C)C |
| InChI | InChI=1S/C21H23NSi/c1-16-13-20(22-15-21(16)23(2,3)4)19-12-8-11-18(14-19)17-9-6-5-7-10-17/h5-15H,1-4H3 |
| InChIKey | AUJMALBHKNUPFR-UHFFFAOYSA-N |
| XLogP | 5.27 |
| TPSA | 12.89 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 23 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 317.51 |
| LogP ≤ 5 | 5.27 |
| 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-methyl-6-(3-phenylphenyl)-3-pyridinyl]silane?
The IUPAC name of trimethyl-[4-methyl-6-(3-phenylphenyl)-3-pyridinyl]silane (CID 140710280) is trimethyl-[4-methyl-6-(3-phenylphenyl)-3-pyridinyl]silane.
What is the SMILES notation for trimethyl-[4-methyl-6-(3-phenylphenyl)-3-pyridinyl]silane?
The canonical SMILES for trimethyl-[4-methyl-6-(3-phenylphenyl)-3-pyridinyl]silane is Cc1cc(-c2cccc(-c3ccccc3)c2)ncc1[Si](C)(C)C.
What is the InChIKey of trimethyl-[4-methyl-6-(3-phenylphenyl)-3-pyridinyl]silane?
The InChIKey is AUJMALBHKNUPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NSi/c1-16-13-20(22-15-21(16)23(2,3)4)19-12-8-11-18(14-19)17-9-6-5-7-10-17/h5-15H,1-4H3.
What are the key properties of trimethyl-[4-methyl-6-(3-phenylphenyl)-3-pyridinyl]silane?
trimethyl-[4-methyl-6-(3-phenylphenyl)-3-pyridinyl]silane has a molecular weight of 317.51 g/mol, XLogP of 5.27, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[4-methyl-6-(3-phenylphenyl)-3-pyridinyl]silane is sourced from PubChem (CID 140710280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).