About 4-naphthalen-1-yl-N-[2-(4-phenylphenyl)phenyl]-N-(2-triphenylen-2-ylphenyl)dibenzofuran-1-amine
4-naphthalen-1-yl-N-[2-(4-phenylphenyl)phenyl]-N-(2-triphenylen-2-ylphenyl)dibenzofuran-1-amine (PubChem CID 177069796) has the molecular formula C64H41NO
and a molecular weight of 840.04 g/mol. Its IUPAC name is 4-naphthalen-1-yl-N-[2-(4-phenylphenyl)phenyl]-N-(2-triphenylen-2-ylphenyl)dibenzofuran-1-amine.
Molecular Properties
| Compound Name | 4-naphthalen-1-yl-N-[2-(4-phenylphenyl)phenyl]-N-(2-triphenylen-2-ylphenyl)dibenzofuran-1-amine |
|---|
| PubChem CID | 177069796 |
|---|
| Molecular Formula | C64H41NO |
|---|
| Molecular Weight | 840.04 g/mol |
|---|
| Exact Mass | 839.32 |
|---|
| IUPAC Name | 4-naphthalen-1-yl-N-[2-(4-phenylphenyl)phenyl]-N-(2-triphenylen-2-ylphenyl)dibenzofuran-1-amine |
|---|
| SMILES | c1ccc(-c2ccc(-c3ccccc3N(c3ccccc3-c3ccc4c5ccccc5c5ccccc5c4c3)c3ccc(-c4cccc5ccccc45)c4oc5ccccc5c34)cc2)cc1 |
|---|
| InChI | InChI=1S/C64H41NO/c1-2-17-42(18-3-1)43-33-35-45(36-34-43)48-22-10-13-30-59(48)65(61-40-39-56(50-29-16-20-44-19-4-5-21-47(44)50)64-63(61)57-28-12-15-32-62(57)66-64)60-31-14-11-23-49(60)46-37-38-55-53-26-7-6-24-51(53)52-25-8-9-27-54(52)58(55)41-46/h1-41H |
|---|
| InChIKey | JATHJLVKYYTUEV-UHFFFAOYSA-N |
|---|
| XLogP | 18.34 |
|---|
| TPSA | 16.38 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 2 |
|---|
| Rotatable Bonds | 7 |
|---|
| Heavy Atoms | 66 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 840.04 |
| LogP ≤ 5 | 18.34 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
|---|
Analyze 4-naphthalen-1-yl-N-[2-(4-phenylphenyl)phenyl]-N-(2-triphenylen-2-ylphenyl)dibenzofuran-1-amine with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of 4-naphthalen-1-yl-N-[2-(4-phenylphenyl)phenyl]-N-(2-triphenylen-2-ylphenyl)dibenzofuran-1-amine?
The IUPAC name of 4-naphthalen-1-yl-N-[2-(4-phenylphenyl)phenyl]-N-(2-triphenylen-2-ylphenyl)dibenzofuran-1-amine (CID 177069796) is 4-naphthalen-1-yl-N-[2-(4-phenylphenyl)phenyl]-N-(2-triphenylen-2-ylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for 4-naphthalen-1-yl-N-[2-(4-phenylphenyl)phenyl]-N-(2-triphenylen-2-ylphenyl)dibenzofuran-1-amine?
The canonical SMILES for 4-naphthalen-1-yl-N-[2-(4-phenylphenyl)phenyl]-N-(2-triphenylen-2-ylphenyl)dibenzofuran-1-amine is c1ccc(-c2ccc(-c3ccccc3N(c3ccccc3-c3ccc4c5ccccc5c5ccccc5c4c3)c3ccc(-c4cccc5ccccc45)c4oc5ccccc5c34)cc2)cc1.
What is the InChIKey of 4-naphthalen-1-yl-N-[2-(4-phenylphenyl)phenyl]-N-(2-triphenylen-2-ylphenyl)dibenzofuran-1-amine?
The InChIKey is JATHJLVKYYTUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H41NO/c1-2-17-42(18-3-1)43-33-35-45(36-34-43)48-22-10-13-30-59(48)65(61-40-39-56(50-29-16-20-44-19-4-5-21-47(44)50)64-63(61)57-28-12-15-32-62(57)66-64)60-31-14-11-23-49(60)46-37-38-55-53-26-7-6-24-51(53)52-25-8-9-27-54(52)58(55)41-46/h1-41H.
What are the key properties of 4-naphthalen-1-yl-N-[2-(4-phenylphenyl)phenyl]-N-(2-triphenylen-2-ylphenyl)dibenzofuran-1-amine?
4-naphthalen-1-yl-N-[2-(4-phenylphenyl)phenyl]-N-(2-triphenylen-2-ylphenyl)dibenzofuran-1-amine has a molecular weight of 840.04 g/mol, XLogP of 18.34, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-1-yl-N-[2-(4-phenylphenyl)phenyl]-N-(2-triphenylen-2-ylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 177069796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).