About 8-phenyl-N-(3-phenylphenyl)dibenzofuran-1-amine
8-phenyl-N-(3-phenylphenyl)dibenzofuran-1-amine (PubChem CID 176759717) has the molecular formula C30H21NO
and a molecular weight of 411.50 g/mol. Its IUPAC name is 8-phenyl-N-(3-phenylphenyl)dibenzofuran-1-amine.
Molecular Properties
| Compound Name | 8-phenyl-N-(3-phenylphenyl)dibenzofuran-1-amine |
| PubChem CID | 176759717 |
| Molecular Formula | C30H21NO |
| Molecular Weight | 411.50 g/mol |
| Exact Mass | 411.16 |
| IUPAC Name | 8-phenyl-N-(3-phenylphenyl)dibenzofuran-1-amine |
| SMILES | c1ccc(-c2cccc(Nc3cccc4oc5ccc(-c6ccccc6)cc5c34)c2)cc1 |
| InChI | InChI=1S/C30H21NO/c1-3-9-21(10-4-1)23-13-7-14-25(19-23)31-27-15-8-16-29-30(27)26-20-24(17-18-28(26)32-29)22-11-5-2-6-12-22/h1-20,31H |
| InChIKey | MHZSINBXSYPCAQ-UHFFFAOYSA-N |
| XLogP | 8.66 |
| TPSA | 25.17 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 32 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 411.50 |
| LogP ≤ 5 | 8.66 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 8-phenyl-N-(3-phenylphenyl)dibenzofuran-1-amine?
The IUPAC name of 8-phenyl-N-(3-phenylphenyl)dibenzofuran-1-amine (CID 176759717) is 8-phenyl-N-(3-phenylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for 8-phenyl-N-(3-phenylphenyl)dibenzofuran-1-amine?
The canonical SMILES for 8-phenyl-N-(3-phenylphenyl)dibenzofuran-1-amine is c1ccc(-c2cccc(Nc3cccc4oc5ccc(-c6ccccc6)cc5c34)c2)cc1.
What is the InChIKey of 8-phenyl-N-(3-phenylphenyl)dibenzofuran-1-amine?
The InChIKey is MHZSINBXSYPCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21NO/c1-3-9-21(10-4-1)23-13-7-14-25(19-23)31-27-15-8-16-29-30(27)26-20-24(17-18-28(26)32-29)22-11-5-2-6-12-22/h1-20,31H.
What are the key properties of 8-phenyl-N-(3-phenylphenyl)dibenzofuran-1-amine?
8-phenyl-N-(3-phenylphenyl)dibenzofuran-1-amine has a molecular weight of 411.50 g/mol, XLogP of 8.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenyl-N-(3-phenylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 176759717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).