About (Z)-2-anthracen-9-yl-1-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]ethenol
(Z)-2-anthracen-9-yl-1-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]ethenol (PubChem CID 59399224) has the molecular formula C34H25F2N3O
and a molecular weight of 529.59 g/mol. Its IUPAC name is (Z)-2-anthracen-9-yl-1-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]ethenol.
Molecular Properties
| Compound Name | (Z)-2-anthracen-9-yl-1-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]ethenol |
|---|
| PubChem CID | 59399224 |
|---|
| Molecular Formula | C34H25F2N3O |
|---|
| Molecular Weight | 529.59 g/mol |
|---|
| Exact Mass | 529.20 |
|---|
| IUPAC Name | (Z)-2-anthracen-9-yl-1-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]ethenol |
|---|
| SMILES | CC(C)(c1cccc(/C(O)=C/c2c3ccccc3cc3ccccc23)n1)c1cccc(-c2ccc(F)nc2F)n1 |
|---|
| InChI | InChI=1S/C34H25F2N3O/c1-34(2,30-15-7-13-27(37-30)25-17-18-32(35)39-33(25)36)31-16-8-14-28(38-31)29(40)20-26-23-11-5-3-9-21(23)19-22-10-4-6-12-24(22)26/h3-20,40H,1-2H3/b29-20- |
|---|
| InChIKey | TXTOXDHJSBUQAJ-BRPDVVIDSA-N |
|---|
| XLogP | 8.51 |
|---|
| TPSA | 58.90 Ų |
|---|
| H-Bond Donors | 1 |
|---|
| H-Bond Acceptors | 4 |
|---|
| Rotatable Bonds | 5 |
|---|
| Heavy Atoms | 40 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 529.59 |
| LogP ≤ 5 | 8.51 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
|---|
Analyze (Z)-2-anthracen-9-yl-1-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]ethenol 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 (Z)-2-anthracen-9-yl-1-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]ethenol?
The IUPAC name of (Z)-2-anthracen-9-yl-1-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]ethenol (CID 59399224) is (Z)-2-anthracen-9-yl-1-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]ethenol.
What is the SMILES notation for (Z)-2-anthracen-9-yl-1-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]ethenol?
The canonical SMILES for (Z)-2-anthracen-9-yl-1-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]ethenol is CC(C)(c1cccc(/C(O)=C/c2c3ccccc3cc3ccccc23)n1)c1cccc(-c2ccc(F)nc2F)n1.
What is the InChIKey of (Z)-2-anthracen-9-yl-1-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]ethenol?
The InChIKey is TXTOXDHJSBUQAJ-BRPDVVIDSA-N. The full InChI is InChI=1S/C34H25F2N3O/c1-34(2,30-15-7-13-27(37-30)25-17-18-32(35)39-33(25)36)31-16-8-14-28(38-31)29(40)20-26-23-11-5-3-9-21(23)19-22-10-4-6-12-24(22)26/h3-20,40H,1-2H3/b29-20-.
What are the key properties of (Z)-2-anthracen-9-yl-1-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]ethenol?
(Z)-2-anthracen-9-yl-1-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]ethenol has a molecular weight of 529.59 g/mol, XLogP of 8.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-anthracen-9-yl-1-[6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]ethenol is sourced from PubChem (CID 59399224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).