About [4-[4-[4-(4-fluorobenzoyl)phenyl]-3-[4-(4-phenoxyphenoxy)benzoyl]phenyl]phenyl]-(4-fluorophenyl)methanone
[4-[4-[4-(4-fluorobenzoyl)phenyl]-3-[4-(4-phenoxyphenoxy)benzoyl]phenyl]phenyl]-(4-fluorophenyl)methanone (PubChem CID 58769543) has the molecular formula C51H32F2O5
and a molecular weight of 762.81 g/mol. Its IUPAC name is [4-[4-[4-(4-fluorobenzoyl)phenyl]-3-[4-(4-phenoxyphenoxy)benzoyl]phenyl]phenyl]-(4-fluorophenyl)methanone.
Molecular Properties
| Compound Name | [4-[4-[4-(4-fluorobenzoyl)phenyl]-3-[4-(4-phenoxyphenoxy)benzoyl]phenyl]phenyl]-(4-fluorophenyl)methanone |
|---|
| PubChem CID | 58769543 |
|---|
| Molecular Formula | C51H32F2O5 |
|---|
| Molecular Weight | 762.81 g/mol |
|---|
| Exact Mass | 762.22 |
|---|
| IUPAC Name | [4-[4-[4-(4-fluorobenzoyl)phenyl]-3-[4-(4-phenoxyphenoxy)benzoyl]phenyl]phenyl]-(4-fluorophenyl)methanone |
|---|
| SMILES | O=C(c1ccc(F)cc1)c1ccc(-c2ccc(-c3ccc(C(=O)c4ccc(F)cc4)cc3)c(C(=O)c3ccc(Oc4ccc(Oc5ccccc5)cc4)cc3)c2)cc1 |
|---|
| InChI | InChI=1S/C51H32F2O5/c52-41-21-14-37(15-22-41)49(54)35-10-6-33(7-11-35)40-20-31-47(34-8-12-36(13-9-34)50(55)38-16-23-42(53)24-17-38)48(32-40)51(56)39-18-25-44(26-19-39)58-46-29-27-45(28-30-46)57-43-4-2-1-3-5-43/h1-32H |
|---|
| InChIKey | XYYNGEMSAFZYKT-UHFFFAOYSA-N |
|---|
| XLogP | 12.58 |
|---|
| TPSA | 69.67 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 5 |
|---|
| Rotatable Bonds | 12 |
|---|
| Heavy Atoms | 58 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 762.81 |
| LogP ≤ 5 | 12.58 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |
Analyze [4-[4-[4-(4-fluorobenzoyl)phenyl]-3-[4-(4-phenoxyphenoxy)benzoyl]phenyl]phenyl]-(4-fluorophenyl)methanone 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-[4-[4-(4-fluorobenzoyl)phenyl]-3-[4-(4-phenoxyphenoxy)benzoyl]phenyl]phenyl]-(4-fluorophenyl)methanone?
The IUPAC name of [4-[4-[4-(4-fluorobenzoyl)phenyl]-3-[4-(4-phenoxyphenoxy)benzoyl]phenyl]phenyl]-(4-fluorophenyl)methanone (CID 58769543) is [4-[4-[4-(4-fluorobenzoyl)phenyl]-3-[4-(4-phenoxyphenoxy)benzoyl]phenyl]phenyl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [4-[4-[4-(4-fluorobenzoyl)phenyl]-3-[4-(4-phenoxyphenoxy)benzoyl]phenyl]phenyl]-(4-fluorophenyl)methanone?
The canonical SMILES for [4-[4-[4-(4-fluorobenzoyl)phenyl]-3-[4-(4-phenoxyphenoxy)benzoyl]phenyl]phenyl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)c1ccc(-c2ccc(-c3ccc(C(=O)c4ccc(F)cc4)cc3)c(C(=O)c3ccc(Oc4ccc(Oc5ccccc5)cc4)cc3)c2)cc1.
What is the InChIKey of [4-[4-[4-(4-fluorobenzoyl)phenyl]-3-[4-(4-phenoxyphenoxy)benzoyl]phenyl]phenyl]-(4-fluorophenyl)methanone?
The InChIKey is XYYNGEMSAFZYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32F2O5/c52-41-21-14-37(15-22-41)49(54)35-10-6-33(7-11-35)40-20-31-47(34-8-12-36(13-9-34)50(55)38-16-23-42(53)24-17-38)48(32-40)51(56)39-18-25-44(26-19-39)58-46-29-27-45(28-30-46)57-43-4-2-1-3-5-43/h1-32H.
What are the key properties of [4-[4-[4-(4-fluorobenzoyl)phenyl]-3-[4-(4-phenoxyphenoxy)benzoyl]phenyl]phenyl]-(4-fluorophenyl)methanone?
[4-[4-[4-(4-fluorobenzoyl)phenyl]-3-[4-(4-phenoxyphenoxy)benzoyl]phenyl]phenyl]-(4-fluorophenyl)methanone has a molecular weight of 762.81 g/mol, XLogP of 12.58, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[4-(4-fluorobenzoyl)phenyl]-3-[4-(4-phenoxyphenoxy)benzoyl]phenyl]phenyl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 58769543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).