About 4-[(E)-2-dibenzofuran-2-ylethenyl]-2-methylpyridine
4-[(E)-2-dibenzofuran-2-ylethenyl]-2-methylpyridine (PubChem CID 126725895) has the molecular formula C20H15NO
and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-[(E)-2-dibenzofuran-2-ylethenyl]-2-methylpyridine.
Molecular Properties
| Compound Name | 4-[(E)-2-dibenzofuran-2-ylethenyl]-2-methylpyridine |
| PubChem CID | 126725895 |
| Molecular Formula | C20H15NO |
| Molecular Weight | 285.35 g/mol |
| Exact Mass | 285.12 |
| IUPAC Name | 4-[(E)-2-dibenzofuran-2-ylethenyl]-2-methylpyridine |
| SMILES | Cc1cc(/C=C/c2ccc3oc4ccccc4c3c2)ccn1 |
| InChI | InChI=1S/C20H15NO/c1-14-12-16(10-11-21-14)7-6-15-8-9-20-18(13-15)17-4-2-3-5-19(17)22-20/h2-13H,1H3/b7-6+ |
| InChIKey | ANVIBTFWRMSFDI-VOTSOKGWSA-N |
| XLogP | 5.46 |
| TPSA | 26.03 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 22 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 285.35 |
| LogP ≤ 5 | 5.46 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 4-[(E)-2-dibenzofuran-2-ylethenyl]-2-methylpyridine?
The IUPAC name of 4-[(E)-2-dibenzofuran-2-ylethenyl]-2-methylpyridine (CID 126725895) is 4-[(E)-2-dibenzofuran-2-ylethenyl]-2-methylpyridine.
What is the SMILES notation for 4-[(E)-2-dibenzofuran-2-ylethenyl]-2-methylpyridine?
The canonical SMILES for 4-[(E)-2-dibenzofuran-2-ylethenyl]-2-methylpyridine is Cc1cc(/C=C/c2ccc3oc4ccccc4c3c2)ccn1.
What is the InChIKey of 4-[(E)-2-dibenzofuran-2-ylethenyl]-2-methylpyridine?
The InChIKey is ANVIBTFWRMSFDI-VOTSOKGWSA-N. The full InChI is InChI=1S/C20H15NO/c1-14-12-16(10-11-21-14)7-6-15-8-9-20-18(13-15)17-4-2-3-5-19(17)22-20/h2-13H,1H3/b7-6+.
What are the key properties of 4-[(E)-2-dibenzofuran-2-ylethenyl]-2-methylpyridine?
4-[(E)-2-dibenzofuran-2-ylethenyl]-2-methylpyridine has a molecular weight of 285.35 g/mol, XLogP of 5.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-dibenzofuran-2-ylethenyl]-2-methylpyridine is sourced from PubChem (CID 126725895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).