About 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)propan-2-yloxy]phenyl]-4-fluorophenyl]-2-phenyl-4-(4-phenylphenyl)pyridine
5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)propan-2-yloxy]phenyl]-4-fluorophenyl]-2-phenyl-4-(4-phenylphenyl)pyridine (PubChem CID 165148451) has the molecular formula C63H50FN3O2
and a molecular weight of 900.11 g/mol. Its IUPAC name is 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)propan-2-yloxy]phenyl]-4-fluorophenyl]-2-phenyl-4-(4-phenylphenyl)pyridine.
Molecular Properties
| Compound Name | 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)propan-2-yloxy]phenyl]-4-fluorophenyl]-2-phenyl-4-(4-phenylphenyl)pyridine |
|---|
| PubChem CID | 165148451 |
|---|
| Molecular Formula | C63H50FN3O2 |
|---|
| Molecular Weight | 900.11 g/mol |
|---|
| Exact Mass | 899.39 |
|---|
| IUPAC Name | 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)propan-2-yloxy]phenyl]-4-fluorophenyl]-2-phenyl-4-(4-phenylphenyl)pyridine |
|---|
| SMILES | CC(C)(Oc1cc(OC(C)(C)c2ccc(-c3ccccc3)nc2)cc(-c2cc(F)ccc2-c2cnc(-c3ccccc3)cc2-c2ccc(-c3ccccc3)cc2)c1)c1ccc(-c2ccccc2)nc1 |
|---|
| InChI | InChI=1S/C63H50FN3O2/c1-62(2,50-29-33-59(65-40-50)46-19-11-6-12-20-46)68-53-35-49(36-54(38-53)69-63(3,4)51-30-34-60(66-41-51)47-21-13-7-14-22-47)56-37-52(64)31-32-55(56)58-42-67-61(48-23-15-8-16-24-48)39-57(58)45-27-25-44(26-28-45)43-17-9-5-10-18-43/h5-42H,1-4H3 |
|---|
| InChIKey | JOFGIMAJXYLFPF-UHFFFAOYSA-N |
|---|
| XLogP | 16.31 |
|---|
| TPSA | 57.13 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 5 |
|---|
| Rotatable Bonds | 13 |
|---|
| Heavy Atoms | 69 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 900.11 |
| LogP ≤ 5 | 16.31 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |
Analyze 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)propan-2-yloxy]phenyl]-4-fluorophenyl]-2-phenyl-4-(4-phenylphenyl)pyridine 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 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)propan-2-yloxy]phenyl]-4-fluorophenyl]-2-phenyl-4-(4-phenylphenyl)pyridine?
The IUPAC name of 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)propan-2-yloxy]phenyl]-4-fluorophenyl]-2-phenyl-4-(4-phenylphenyl)pyridine (CID 165148451) is 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)propan-2-yloxy]phenyl]-4-fluorophenyl]-2-phenyl-4-(4-phenylphenyl)pyridine.
What is the SMILES notation for 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)propan-2-yloxy]phenyl]-4-fluorophenyl]-2-phenyl-4-(4-phenylphenyl)pyridine?
The canonical SMILES for 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)propan-2-yloxy]phenyl]-4-fluorophenyl]-2-phenyl-4-(4-phenylphenyl)pyridine is CC(C)(Oc1cc(OC(C)(C)c2ccc(-c3ccccc3)nc2)cc(-c2cc(F)ccc2-c2cnc(-c3ccccc3)cc2-c2ccc(-c3ccccc3)cc2)c1)c1ccc(-c2ccccc2)nc1.
What is the InChIKey of 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)propan-2-yloxy]phenyl]-4-fluorophenyl]-2-phenyl-4-(4-phenylphenyl)pyridine?
The InChIKey is JOFGIMAJXYLFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H50FN3O2/c1-62(2,50-29-33-59(65-40-50)46-19-11-6-12-20-46)68-53-35-49(36-54(38-53)69-63(3,4)51-30-34-60(66-41-51)47-21-13-7-14-22-47)56-37-52(64)31-32-55(56)58-42-67-61(48-23-15-8-16-24-48)39-57(58)45-27-25-44(26-28-45)43-17-9-5-10-18-43/h5-42H,1-4H3.
What are the key properties of 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)propan-2-yloxy]phenyl]-4-fluorophenyl]-2-phenyl-4-(4-phenylphenyl)pyridine?
5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)propan-2-yloxy]phenyl]-4-fluorophenyl]-2-phenyl-4-(4-phenylphenyl)pyridine has a molecular weight of 900.11 g/mol, XLogP of 16.31, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)propan-2-yloxy]phenyl]-4-fluorophenyl]-2-phenyl-4-(4-phenylphenyl)pyridine is sourced from PubChem (CID 165148451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).