3,4,5,6-Tetrachloro-N-(2-(4,5,6,7-tetrachloro-3-hydroxy-1-oxo-1H-inden-2-yl)-8-quinolyl)phthalimide
Basic information
- CAS
27692-59-7- Standard SMILES
O=C1C(c2ccc3cccc(N4C(=O)c5c(Cl)c(Cl)c(Cl)c(Cl)c5C4=O)c3n2)=C(O)c2c(Cl)c(Cl)c(Cl)c(Cl)c21- InChIKey
VFBUXDPFFMEKKG-UHFFFAOYSA-N- Molecular formula
- C26H6Cl8N2O4
- Average molar mass
- 693.9 g/mol
- Monoisotopic mass
- 689.783578
Overview
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Names & identifiers
- Preferred name
- 3,4,5,6-Tetrachloro-N-(2-(4,5,6,7-tetrachloro-3-hydroxy-1-oxo-1H-inden-2-yl)-8-quinolyl)phthalimide
- IUPAC
- 4,5,6,7-tetrachloro-2-[2-(4,5,6,7-tetrachloro-1-hydroxy-3-oxoinden-2-yl)quinolin-8-yl]isoindole-1,3-dione
- English name
- 3,4,5,6-tetrachloro-N-[2-(4,5,6,7-tetrachloro-3-hydroxy-1-oxo-1H-inden-2-yl)-8-quinolyl]phthalimide
- Molecular formula
- C26H6Cl8N2O4
- Molecular weight
- 693.96
Names & synonyms
27692-59-7EINECS 248-610-83,4,5,6-Tetrachloro-N-(2-(4,5,6,7-tetrachloro-3-hydroxy-1-oxo-1H-inden-2-yl)-8-quinolyl)phthalimideSCHEMBL278758SCHEMBL12197370DTXSID60950355VFBUXDPFFMEKKG-UHFFFAOYSA-NNS000495304,5,6,7-Tetrachloro-2-[2-(4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)-1,2-dihydroquinolin-8-yl]-1H-isoindole-1,3(2H)-dione3,4,5,6-tetrachloro-N-[2-(4,5,6,7-tetrachloro-3-hydroxy-1-oxo-1H-inden-2-yl)-8-quinolyl]phthalimide3,4,5,6-Tetrachloro-N-[2-(3-hydroxy-1-oxo-4,5,6,7-tetrachloro-1H-inden-2-yl)quinolin-8-yl]phthalimide1H-Isoindole-1,3(2H)-dione, 4,5,6,7-tetrachloro-2-[2-(4,5,6,7-tetrachloro-3-hydroxy-1-oxo-1H-inden-2-yl)-8-quinolinyl]-
Show more names
2-(1-Oxo-3-hydroxy-4,5,6,7-tetrachloro-1H-indene-2-yl)-8-(1,3-dihydro-1,3-dioxo-4,5,6,7-tetrachloro-2H-isoindole-2-yl)quinoline
Properties
Computed structural properties
- XLogP
- 8.8
- Topological polar surface area
- 87.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 1,110
Physicochemical properties
- Boiling point
- 908.1 · 908.1±75.0 °C(Predicted)
- Density
- 1.897 · 1.897±0.06 g/cm3(Predicted)
- pka
- 1.99 · 1.99±0.58(Predicted)
Related reactions
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Compound notes
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