About [4-[4-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]phenyl]-trimethylsilane
[4-[4-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]phenyl]-trimethylsilane (PubChem CID 169293793) has the molecular formula C37H31FSi
and a molecular weight of 522.74 g/mol. Its IUPAC name is [4-[4-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]phenyl]-trimethylsilane.
Molecular Properties
| Compound Name | [4-[4-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]phenyl]-trimethylsilane |
| PubChem CID | 169293793 |
| Molecular Formula | C37H31FSi |
| Molecular Weight | 522.74 g/mol |
| Exact Mass | 522.22 |
| IUPAC Name | [4-[4-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]phenyl]-trimethylsilane |
| SMILES | C[Si](C)(C)c1ccc(-c2ccc(-c3ccc4cc(-c5ccc(-c6ccc(F)cc6)cc5)ccc4c3)cc2)cc1 |
| InChI | InChI=1S/C37H31FSi/c1-39(2,3)37-22-18-29(19-23-37)27-6-10-31(11-7-27)33-13-15-34-24-32(12-14-35(34)25-33)30-8-4-26(5-9-30)28-16-20-36(38)21-17-28/h4-25H,1-3H3 |
| InChIKey | MMNFXMYHEYTCHG-UHFFFAOYSA-N |
| XLogP | 10.19 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 5 |
| Heavy Atoms | 39 |
| Complexity | — |
Lipinski Rule of Five
2 violations
| Rule | Value |
| MW ≤ 500 | 522.74 |
| LogP ≤ 5 | 10.19 |
| 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 [4-[4-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]phenyl]-trimethylsilane?
The IUPAC name of [4-[4-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]phenyl]-trimethylsilane (CID 169293793) is [4-[4-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]phenyl]-trimethylsilane.
What is the SMILES notation for [4-[4-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]phenyl]-trimethylsilane?
The canonical SMILES for [4-[4-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]phenyl]-trimethylsilane is C[Si](C)(C)c1ccc(-c2ccc(-c3ccc4cc(-c5ccc(-c6ccc(F)cc6)cc5)ccc4c3)cc2)cc1.
What is the InChIKey of [4-[4-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]phenyl]-trimethylsilane?
The InChIKey is MMNFXMYHEYTCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H31FSi/c1-39(2,3)37-22-18-29(19-23-37)27-6-10-31(11-7-27)33-13-15-34-24-32(12-14-35(34)25-33)30-8-4-26(5-9-30)28-16-20-36(38)21-17-28/h4-25H,1-3H3.
What are the key properties of [4-[4-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]phenyl]-trimethylsilane?
[4-[4-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]phenyl]-trimethylsilane has a molecular weight of 522.74 g/mol, XLogP of 10.19, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]phenyl]-trimethylsilane is sourced from PubChem (CID 169293793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).