About 5-bromo-3-[[5-bromo-1-[(4-fluorophenyl)methyl]indol-3-yl]-(4-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]indole
5-bromo-3-[[5-bromo-1-[(4-fluorophenyl)methyl]indol-3-yl]-(4-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]indole (PubChem CID 73346253) has the molecular formula C37H25Br2F3N2
and a molecular weight of 714.42 g/mol. Its IUPAC name is 5-bromo-3-[[5-bromo-1-[(4-fluorophenyl)methyl]indol-3-yl]-(4-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]indole.
Molecular Properties
| Compound Name | 5-bromo-3-[[5-bromo-1-[(4-fluorophenyl)methyl]indol-3-yl]-(4-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]indole |
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| PubChem CID | 73346253 |
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| Molecular Formula | C37H25Br2F3N2 |
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| Molecular Weight | 714.42 g/mol |
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| Exact Mass | 712.03 |
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| IUPAC Name | 5-bromo-3-[[5-bromo-1-[(4-fluorophenyl)methyl]indol-3-yl]-(4-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]indole |
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| SMILES | Fc1ccc(Cn2cc(C(c3ccc(F)cc3)c3cn(Cc4ccc(F)cc4)c4ccc(Br)cc34)c3cc(Br)ccc32)cc1 |
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| InChI | InChI=1S/C37H25Br2F3N2/c38-26-7-15-35-31(17-26)33(21-43(35)19-23-1-9-28(40)10-2-23)37(25-5-13-30(42)14-6-25)34-22-44(20-24-3-11-29(41)12-4-24)36-16-8-27(39)18-32(34)36/h1-18,21-22,37H,19-20H2 |
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| InChIKey | XGNJBFQLWWKPJN-UHFFFAOYSA-N |
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| XLogP | 10.82 |
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| TPSA | 9.86 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 44 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 714.42 |
| LogP ≤ 5 | 10.82 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 5-bromo-3-[[5-bromo-1-[(4-fluorophenyl)methyl]indol-3-yl]-(4-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]indole?
The IUPAC name of 5-bromo-3-[[5-bromo-1-[(4-fluorophenyl)methyl]indol-3-yl]-(4-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]indole (CID 73346253) is 5-bromo-3-[[5-bromo-1-[(4-fluorophenyl)methyl]indol-3-yl]-(4-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]indole.
What is the SMILES notation for 5-bromo-3-[[5-bromo-1-[(4-fluorophenyl)methyl]indol-3-yl]-(4-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]indole?
The canonical SMILES for 5-bromo-3-[[5-bromo-1-[(4-fluorophenyl)methyl]indol-3-yl]-(4-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]indole is Fc1ccc(Cn2cc(C(c3ccc(F)cc3)c3cn(Cc4ccc(F)cc4)c4ccc(Br)cc34)c3cc(Br)ccc32)cc1.
What is the InChIKey of 5-bromo-3-[[5-bromo-1-[(4-fluorophenyl)methyl]indol-3-yl]-(4-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]indole?
The InChIKey is XGNJBFQLWWKPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H25Br2F3N2/c38-26-7-15-35-31(17-26)33(21-43(35)19-23-1-9-28(40)10-2-23)37(25-5-13-30(42)14-6-25)34-22-44(20-24-3-11-29(41)12-4-24)36-16-8-27(39)18-32(34)36/h1-18,21-22,37H,19-20H2.
What are the key properties of 5-bromo-3-[[5-bromo-1-[(4-fluorophenyl)methyl]indol-3-yl]-(4-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]indole?
5-bromo-3-[[5-bromo-1-[(4-fluorophenyl)methyl]indol-3-yl]-(4-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]indole has a molecular weight of 714.42 g/mol, XLogP of 10.82, 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-fluorophenyl)methyl]indol-3-yl]-(4-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]indole is sourced from PubChem (CID 73346253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).