About 1-(4-phenylquinolin-2-yl)-N-[1-[2-[(4-phenylquinolin-2-yl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine
1-(4-phenylquinolin-2-yl)-N-[1-[2-[(4-phenylquinolin-2-yl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine (PubChem CID 101264651) has the molecular formula C52H34N4
and a molecular weight of 714.87 g/mol. Its IUPAC name is 1-(4-phenylquinolin-2-yl)-N-[1-[2-[(4-phenylquinolin-2-yl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine.
Molecular Properties
| Compound Name | 1-(4-phenylquinolin-2-yl)-N-[1-[2-[(4-phenylquinolin-2-yl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine |
|---|
| PubChem CID | 101264651 |
|---|
| Molecular Formula | C52H34N4 |
|---|
| Molecular Weight | 714.87 g/mol |
|---|
| Exact Mass | 714.28 |
|---|
| IUPAC Name | 1-(4-phenylquinolin-2-yl)-N-[1-[2-[(4-phenylquinolin-2-yl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine |
|---|
| SMILES | C(=N/c1ccc2ccccc2c1-c1c(/N=C/c2cc(-c3ccccc3)c3ccccc3n2)ccc2ccccc12)\c1cc(-c2ccccc2)c2ccccc2n1 |
|---|
| InChI | InChI=1S/C52H34N4/c1-3-15-35(16-4-1)45-31-39(55-47-25-13-11-23-43(45)47)33-53-49-29-27-37-19-7-9-21-41(37)51(49)52-42-22-10-8-20-38(42)28-30-50(52)54-34-40-32-46(36-17-5-2-6-18-36)44-24-12-14-26-48(44)56-40/h1-34H/b53-33+,54-34+ |
|---|
| InChIKey | MVKSZQKUWYCFLD-MLYVNMQYSA-N |
|---|
| XLogP | 13.59 |
|---|
| TPSA | 50.50 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 4 |
|---|
| Rotatable Bonds | 7 |
|---|
| Heavy Atoms | 56 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 714.87 |
| LogP ≤ 5 | 13.59 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'} |
|---|
Analyze 1-(4-phenylquinolin-2-yl)-N-[1-[2-[(4-phenylquinolin-2-yl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine 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 1-(4-phenylquinolin-2-yl)-N-[1-[2-[(4-phenylquinolin-2-yl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine?
The IUPAC name of 1-(4-phenylquinolin-2-yl)-N-[1-[2-[(4-phenylquinolin-2-yl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine (CID 101264651) is 1-(4-phenylquinolin-2-yl)-N-[1-[2-[(4-phenylquinolin-2-yl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine.
What is the SMILES notation for 1-(4-phenylquinolin-2-yl)-N-[1-[2-[(4-phenylquinolin-2-yl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine?
The canonical SMILES for 1-(4-phenylquinolin-2-yl)-N-[1-[2-[(4-phenylquinolin-2-yl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine is C(=N/c1ccc2ccccc2c1-c1c(/N=C/c2cc(-c3ccccc3)c3ccccc3n2)ccc2ccccc12)\c1cc(-c2ccccc2)c2ccccc2n1.
What is the InChIKey of 1-(4-phenylquinolin-2-yl)-N-[1-[2-[(4-phenylquinolin-2-yl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine?
The InChIKey is MVKSZQKUWYCFLD-MLYVNMQYSA-N. The full InChI is InChI=1S/C52H34N4/c1-3-15-35(16-4-1)45-31-39(55-47-25-13-11-23-43(45)47)33-53-49-29-27-37-19-7-9-21-41(37)51(49)52-42-22-10-8-20-38(42)28-30-50(52)54-34-40-32-46(36-17-5-2-6-18-36)44-24-12-14-26-48(44)56-40/h1-34H/b53-33+,54-34+.
What are the key properties of 1-(4-phenylquinolin-2-yl)-N-[1-[2-[(4-phenylquinolin-2-yl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine?
1-(4-phenylquinolin-2-yl)-N-[1-[2-[(4-phenylquinolin-2-yl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine has a molecular weight of 714.87 g/mol, XLogP of 13.59, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylquinolin-2-yl)-N-[1-[2-[(4-phenylquinolin-2-yl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]methanimine is sourced from PubChem (CID 101264651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).