About 5-bromo-3-[[5-bromo-1-[(4-bromophenyl)methyl]indol-3-yl]-(4-fluorophenyl)methyl]-1-[(4-bromophenyl)methyl]indole
5-bromo-3-[[5-bromo-1-[(4-bromophenyl)methyl]indol-3-yl]-(4-fluorophenyl)methyl]-1-[(4-bromophenyl)methyl]indole (PubChem CID 73349303) has the molecular formula C37H25Br4FN2
and a molecular weight of 836.24 g/mol. Its IUPAC name is 5-bromo-3-[[5-bromo-1-[(4-bromophenyl)methyl]indol-3-yl]-(4-fluorophenyl)methyl]-1-[(4-bromophenyl)methyl]indole.
Molecular Properties
| Compound Name | 5-bromo-3-[[5-bromo-1-[(4-bromophenyl)methyl]indol-3-yl]-(4-fluorophenyl)methyl]-1-[(4-bromophenyl)methyl]indole |
|---|
| PubChem CID | 73349303 |
|---|
| Molecular Formula | C37H25Br4FN2 |
|---|
| Molecular Weight | 836.24 g/mol |
|---|
| Exact Mass | 831.87 |
|---|
| IUPAC Name | 5-bromo-3-[[5-bromo-1-[(4-bromophenyl)methyl]indol-3-yl]-(4-fluorophenyl)methyl]-1-[(4-bromophenyl)methyl]indole |
|---|
| SMILES | Fc1ccc(C(c2cn(Cc3ccc(Br)cc3)c3ccc(Br)cc23)c2cn(Cc3ccc(Br)cc3)c3ccc(Br)cc23)cc1 |
|---|
| InChI | InChI=1S/C37H25Br4FN2/c38-26-7-1-23(2-8-26)19-43-21-33(31-17-28(40)11-15-35(31)43)37(25-5-13-30(42)14-6-25)34-22-44(20-24-3-9-27(39)10-4-24)36-16-12-29(41)18-32(34)36/h1-18,21-22,37H,19-20H2 |
|---|
| InChIKey | LHCLLDPRVVVYIH-UHFFFAOYSA-N |
|---|
| XLogP | 12.06 |
|---|
| TPSA | 9.86 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 2 |
|---|
| Rotatable Bonds | 7 |
|---|
| Heavy Atoms | 44 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 836.24 |
| LogP ≤ 5 | 12.06 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Analyze 5-bromo-3-[[5-bromo-1-[(4-bromophenyl)methyl]indol-3-yl]-(4-fluorophenyl)methyl]-1-[(4-bromophenyl)methyl]indole 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-bromo-3-[[5-bromo-1-[(4-bromophenyl)methyl]indol-3-yl]-(4-fluorophenyl)methyl]-1-[(4-bromophenyl)methyl]indole?
The IUPAC name of 5-bromo-3-[[5-bromo-1-[(4-bromophenyl)methyl]indol-3-yl]-(4-fluorophenyl)methyl]-1-[(4-bromophenyl)methyl]indole (CID 73349303) is 5-bromo-3-[[5-bromo-1-[(4-bromophenyl)methyl]indol-3-yl]-(4-fluorophenyl)methyl]-1-[(4-bromophenyl)methyl]indole.
What is the SMILES notation for 5-bromo-3-[[5-bromo-1-[(4-bromophenyl)methyl]indol-3-yl]-(4-fluorophenyl)methyl]-1-[(4-bromophenyl)methyl]indole?
The canonical SMILES for 5-bromo-3-[[5-bromo-1-[(4-bromophenyl)methyl]indol-3-yl]-(4-fluorophenyl)methyl]-1-[(4-bromophenyl)methyl]indole is Fc1ccc(C(c2cn(Cc3ccc(Br)cc3)c3ccc(Br)cc23)c2cn(Cc3ccc(Br)cc3)c3ccc(Br)cc23)cc1.
What is the InChIKey of 5-bromo-3-[[5-bromo-1-[(4-bromophenyl)methyl]indol-3-yl]-(4-fluorophenyl)methyl]-1-[(4-bromophenyl)methyl]indole?
The InChIKey is LHCLLDPRVVVYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H25Br4FN2/c38-26-7-1-23(2-8-26)19-43-21-33(31-17-28(40)11-15-35(31)43)37(25-5-13-30(42)14-6-25)34-22-44(20-24-3-9-27(39)10-4-24)36-16-12-29(41)18-32(34)36/h1-18,21-22,37H,19-20H2.
What are the key properties of 5-bromo-3-[[5-bromo-1-[(4-bromophenyl)methyl]indol-3-yl]-(4-fluorophenyl)methyl]-1-[(4-bromophenyl)methyl]indole?
5-bromo-3-[[5-bromo-1-[(4-bromophenyl)methyl]indol-3-yl]-(4-fluorophenyl)methyl]-1-[(4-bromophenyl)methyl]indole has a molecular weight of 836.24 g/mol, XLogP of 12.06, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[[5-bromo-1-[(4-bromophenyl)methyl]indol-3-yl]-(4-fluorophenyl)methyl]-1-[(4-bromophenyl)methyl]indole is sourced from PubChem (CID 73349303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).