Basic information
- CAS
666818-95-7- Standard SMILES
COc1ccc(Br)cc1C1C2=C(CC(C)(C)CC2=O)N(c2cc(Cl)ccc2Cl)C2=C1C(=O)CC(C)(C)C2- InChIKey
WTBZLWWXCNVJTG-UHFFFAOYSA-N- Molecular formula
- C30H30BrCl2NO3
- Average molar mass
- 603.4 g/mol
Names & identifiers
- Preferred name
- 9-(5-bromo-2-methoxyphenyl)-10-(2,5-dichlorophenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
- IUPAC
- 9-(5-bromo-2-methoxyphenyl)-10-(2,5-dichlorophenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
- English name
- 9-(5-bromo-2-methoxyphenyl)-10-(2,5-dichlorophenyl)-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione
- Molecular formula
- C30H30BrCl2NO3
- Molecular weight
- 603.37
Names & synonyms
9-(5-bromo-2-methoxyphenyl)-10-(2,5-dichlorophenyl)-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedioneAKOS0038090949-(5-bromo-2-methoxyphenyl)-10-(2,5-dichlorophenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dioneAN-655/414765221,8(2H,5H)-Acridinedione, 9-(5-bromo-2-methoxyphenyl)-10-(2,5-dichlorophenyl)-3,4,6,7,9,10-hexahydro-3,3,6,6-tetramethyl-
Database identifiers
- CAS
666818-95-7
Properties
Computed structural properties
- XLogP
- 7.6
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 980
Physicochemical properties
- Boiling point
- 661.9 · 661.9±55.0 °C(Predicted)
- Density
- 1.45 · 1.45±0.1 g/cm3(Predicted)
- pka
- -3.98 · -3.98±0.70(Predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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