About trimethyl-[4-[4-[7-(4-trimethylsilylphenyl)naphthalen-2-yl]phenyl]phenyl]silane
trimethyl-[4-[4-[7-(4-trimethylsilylphenyl)naphthalen-2-yl]phenyl]phenyl]silane (PubChem CID 169293615) has the molecular formula C34H36Si2
and a molecular weight of 500.83 g/mol. Its IUPAC name is trimethyl-[4-[4-[7-(4-trimethylsilylphenyl)naphthalen-2-yl]phenyl]phenyl]silane.
Molecular Properties
| Compound Name | trimethyl-[4-[4-[7-(4-trimethylsilylphenyl)naphthalen-2-yl]phenyl]phenyl]silane |
| PubChem CID | 169293615 |
| Molecular Formula | C34H36Si2 |
| Molecular Weight | 500.83 g/mol |
| Exact Mass | 500.24 |
| IUPAC Name | trimethyl-[4-[4-[7-(4-trimethylsilylphenyl)naphthalen-2-yl]phenyl]phenyl]silane |
| SMILES | C[Si](C)(C)c1ccc(-c2ccc(-c3ccc4ccc(-c5ccc([Si](C)(C)C)cc5)cc4c3)cc2)cc1 |
| InChI | InChI=1S/C34H36Si2/c1-35(2,3)33-19-15-26(16-20-33)25-7-9-27(10-8-25)30-13-11-29-12-14-31(24-32(29)23-30)28-17-21-34(22-18-28)36(4,5)6/h7-24H,1-6H3 |
| InChIKey | YEVBYPBXXDYURW-UHFFFAOYSA-N |
| XLogP | 8.93 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 5 |
| Heavy Atoms | 36 |
| Complexity | — |
Lipinski Rule of Five
2 violations
| Rule | Value |
| MW ≤ 500 | 500.83 |
| LogP ≤ 5 | 8.93 |
| 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 trimethyl-[4-[4-[7-(4-trimethylsilylphenyl)naphthalen-2-yl]phenyl]phenyl]silane?
The IUPAC name of trimethyl-[4-[4-[7-(4-trimethylsilylphenyl)naphthalen-2-yl]phenyl]phenyl]silane (CID 169293615) is trimethyl-[4-[4-[7-(4-trimethylsilylphenyl)naphthalen-2-yl]phenyl]phenyl]silane.
What is the SMILES notation for trimethyl-[4-[4-[7-(4-trimethylsilylphenyl)naphthalen-2-yl]phenyl]phenyl]silane?
The canonical SMILES for trimethyl-[4-[4-[7-(4-trimethylsilylphenyl)naphthalen-2-yl]phenyl]phenyl]silane is C[Si](C)(C)c1ccc(-c2ccc(-c3ccc4ccc(-c5ccc([Si](C)(C)C)cc5)cc4c3)cc2)cc1.
What is the InChIKey of trimethyl-[4-[4-[7-(4-trimethylsilylphenyl)naphthalen-2-yl]phenyl]phenyl]silane?
The InChIKey is YEVBYPBXXDYURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36Si2/c1-35(2,3)33-19-15-26(16-20-33)25-7-9-27(10-8-25)30-13-11-29-12-14-31(24-32(29)23-30)28-17-21-34(22-18-28)36(4,5)6/h7-24H,1-6H3.
What are the key properties of trimethyl-[4-[4-[7-(4-trimethylsilylphenyl)naphthalen-2-yl]phenyl]phenyl]silane?
trimethyl-[4-[4-[7-(4-trimethylsilylphenyl)naphthalen-2-yl]phenyl]phenyl]silane has a molecular weight of 500.83 g/mol, XLogP of 8.93, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[4-[4-[7-(4-trimethylsilylphenyl)naphthalen-2-yl]phenyl]phenyl]silane is sourced from PubChem (CID 169293615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).