About N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-6-phenyldibenzofuran-4-amine
N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-6-phenyldibenzofuran-4-amine (PubChem CID 167397813) has the molecular formula C56H35NO2
and a molecular weight of 753.90 g/mol. Its IUPAC name is N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-6-phenyldibenzofuran-4-amine.
Molecular Properties
| Compound Name | N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-6-phenyldibenzofuran-4-amine |
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| PubChem CID | 167397813 |
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| Molecular Formula | C56H35NO2 |
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| Molecular Weight | 753.90 g/mol |
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| Exact Mass | 753.27 |
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| IUPAC Name | N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-6-phenyldibenzofuran-4-amine |
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| SMILES | c1ccc(-c2cccc3c2oc2c(N(c4ccc(-c5ccc6c(ccc7ccccc76)c5)cc4)c4ccc(-c5cccc6oc7ccccc7c56)cc4)cccc23)cc1 |
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| InChI | InChI=1S/C56H35NO2/c1-2-11-37(12-3-1)47-17-8-18-48-49-19-9-20-51(56(49)59-55(47)48)57(43-32-27-39(28-33-43)46-16-10-22-53-54(46)50-15-6-7-21-52(50)58-53)42-30-25-36(26-31-42)40-29-34-45-41(35-40)24-23-38-13-4-5-14-44(38)45/h1-35H |
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| InChIKey | JQLNQKJJSNRXMJ-UHFFFAOYSA-N |
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| XLogP | 16.26 |
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| TPSA | 29.52 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 59 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 753.90 |
| LogP ≤ 5 | 16.26 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-6-phenyldibenzofuran-4-amine?
The IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-6-phenyldibenzofuran-4-amine (CID 167397813) is N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-6-phenyldibenzofuran-4-amine.
What is the SMILES notation for N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-6-phenyldibenzofuran-4-amine?
The canonical SMILES for N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-6-phenyldibenzofuran-4-amine is c1ccc(-c2cccc3c2oc2c(N(c4ccc(-c5ccc6c(ccc7ccccc76)c5)cc4)c4ccc(-c5cccc6oc7ccccc7c56)cc4)cccc23)cc1.
What is the InChIKey of N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-6-phenyldibenzofuran-4-amine?
The InChIKey is JQLNQKJJSNRXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35NO2/c1-2-11-37(12-3-1)47-17-8-18-48-49-19-9-20-51(56(49)59-55(47)48)57(43-32-27-39(28-33-43)46-16-10-22-53-54(46)50-15-6-7-21-52(50)58-53)42-30-25-36(26-31-42)40-29-34-45-41(35-40)24-23-38-13-4-5-14-44(38)45/h1-35H.
What are the key properties of N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-6-phenyldibenzofuran-4-amine?
N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-6-phenyldibenzofuran-4-amine has a molecular weight of 753.90 g/mol, XLogP of 16.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-6-phenyldibenzofuran-4-amine is sourced from PubChem (CID 167397813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).