About N-[2-fluoro-4-[5-[3-fluoro-4-(4-phenyl-N-pyridin-3-ylanilino)phenyl]furan-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine
N-[2-fluoro-4-[5-[3-fluoro-4-(4-phenyl-N-pyridin-3-ylanilino)phenyl]furan-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine (PubChem CID 122659598) has the molecular formula C50H34F2N4O
and a molecular weight of 744.85 g/mol. Its IUPAC name is N-[2-fluoro-4-[5-[3-fluoro-4-(4-phenyl-N-pyridin-3-ylanilino)phenyl]furan-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine.
Molecular Properties
| Compound Name | N-[2-fluoro-4-[5-[3-fluoro-4-(4-phenyl-N-pyridin-3-ylanilino)phenyl]furan-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine |
|---|
| PubChem CID | 122659598 |
|---|
| Molecular Formula | C50H34F2N4O |
|---|
| Molecular Weight | 744.85 g/mol |
|---|
| Exact Mass | 744.27 |
|---|
| IUPAC Name | N-[2-fluoro-4-[5-[3-fluoro-4-(4-phenyl-N-pyridin-3-ylanilino)phenyl]furan-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine |
|---|
| SMILES | Fc1cc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccnc4)c(F)c3)o2)ccc1N(c1ccc(-c2ccccc2)cc1)c1cccnc1 |
|---|
| InChI | InChI=1S/C50H34F2N4O/c51-45-31-39(19-25-47(45)55(43-13-7-29-53-33-43)41-21-15-37(16-22-41)35-9-3-1-4-10-35)49-27-28-50(57-49)40-20-26-48(46(52)32-40)56(44-14-8-30-54-34-44)42-23-17-38(18-24-42)36-11-5-2-6-12-36/h1-34H |
|---|
| InChIKey | CYEYLJABGZTDBB-UHFFFAOYSA-N |
|---|
| XLogP | 13.96 |
|---|
| TPSA | 45.40 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 5 |
|---|
| Rotatable Bonds | 10 |
|---|
| Heavy Atoms | 57 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 744.85 |
| LogP ≤ 5 | 13.96 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |
Analyze N-[2-fluoro-4-[5-[3-fluoro-4-(4-phenyl-N-pyridin-3-ylanilino)phenyl]furan-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-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 N-[2-fluoro-4-[5-[3-fluoro-4-(4-phenyl-N-pyridin-3-ylanilino)phenyl]furan-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine?
The IUPAC name of N-[2-fluoro-4-[5-[3-fluoro-4-(4-phenyl-N-pyridin-3-ylanilino)phenyl]furan-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine (CID 122659598) is N-[2-fluoro-4-[5-[3-fluoro-4-(4-phenyl-N-pyridin-3-ylanilino)phenyl]furan-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine.
What is the SMILES notation for N-[2-fluoro-4-[5-[3-fluoro-4-(4-phenyl-N-pyridin-3-ylanilino)phenyl]furan-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine?
The canonical SMILES for N-[2-fluoro-4-[5-[3-fluoro-4-(4-phenyl-N-pyridin-3-ylanilino)phenyl]furan-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine is Fc1cc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccnc4)c(F)c3)o2)ccc1N(c1ccc(-c2ccccc2)cc1)c1cccnc1.
What is the InChIKey of N-[2-fluoro-4-[5-[3-fluoro-4-(4-phenyl-N-pyridin-3-ylanilino)phenyl]furan-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine?
The InChIKey is CYEYLJABGZTDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34F2N4O/c51-45-31-39(19-25-47(45)55(43-13-7-29-53-33-43)41-21-15-37(16-22-41)35-9-3-1-4-10-35)49-27-28-50(57-49)40-20-26-48(46(52)32-40)56(44-14-8-30-54-34-44)42-23-17-38(18-24-42)36-11-5-2-6-12-36/h1-34H.
What are the key properties of N-[2-fluoro-4-[5-[3-fluoro-4-(4-phenyl-N-pyridin-3-ylanilino)phenyl]furan-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine?
N-[2-fluoro-4-[5-[3-fluoro-4-(4-phenyl-N-pyridin-3-ylanilino)phenyl]furan-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine has a molecular weight of 744.85 g/mol, XLogP of 13.96, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-[5-[3-fluoro-4-(4-phenyl-N-pyridin-3-ylanilino)phenyl]furan-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine is sourced from PubChem (CID 122659598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).