About 1-(2-phenylphenyl)dibenzofuran-4-amine
1-(2-phenylphenyl)dibenzofuran-4-amine (PubChem CID 140757052) has the molecular formula C24H17NO
and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-(2-phenylphenyl)dibenzofuran-4-amine.
Molecular Properties
| Compound Name | 1-(2-phenylphenyl)dibenzofuran-4-amine |
| PubChem CID | 140757052 |
| Molecular Formula | C24H17NO |
| Molecular Weight | 335.41 g/mol |
| Exact Mass | 335.13 |
| IUPAC Name | 1-(2-phenylphenyl)dibenzofuran-4-amine |
| SMILES | Nc1ccc(-c2ccccc2-c2ccccc2)c2c1oc1ccccc12 |
| InChI | InChI=1S/C24H17NO/c25-21-15-14-19(23-20-12-6-7-13-22(20)26-24(21)23)18-11-5-4-10-17(18)16-8-2-1-3-9-16/h1-15H,25H2 |
| InChIKey | MLCBNIJFGAHLED-UHFFFAOYSA-N |
| XLogP | 6.50 |
| TPSA | 39.16 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 26 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 335.41 |
| LogP ≤ 5 | 6.50 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'aniline', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 1-(2-phenylphenyl)dibenzofuran-4-amine?
The IUPAC name of 1-(2-phenylphenyl)dibenzofuran-4-amine (CID 140757052) is 1-(2-phenylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for 1-(2-phenylphenyl)dibenzofuran-4-amine?
The canonical SMILES for 1-(2-phenylphenyl)dibenzofuran-4-amine is Nc1ccc(-c2ccccc2-c2ccccc2)c2c1oc1ccccc12.
What is the InChIKey of 1-(2-phenylphenyl)dibenzofuran-4-amine?
The InChIKey is MLCBNIJFGAHLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17NO/c25-21-15-14-19(23-20-12-6-7-13-22(20)26-24(21)23)18-11-5-4-10-17(18)16-8-2-1-3-9-16/h1-15H,25H2.
What are the key properties of 1-(2-phenylphenyl)dibenzofuran-4-amine?
1-(2-phenylphenyl)dibenzofuran-4-amine has a molecular weight of 335.41 g/mol, XLogP of 6.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 140757052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).