Basic information
- Standard SMILES
CCN(CC)c1ccc(C2(c3ccc(N(C)C)cc3N(C)C)OC(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c32)cc1- InChIKey
BDRQARUYGOUIKS-UHFFFAOYSA-N- Molecular formula
- C28H29Cl4N3O2
- Average molar mass
- 581.4 g/mol
- Monoisotopic mass
- 579.101388
Names & identifiers
- Preferred name
- 3-(2,4-Bis(dimethylamino)phenyl)-3-(4-(diethylamino)phenyl)-4,5,6,7-tetrachlorophthalide
- IUPAC
- 3-[2,4-bis(dimethylamino)phenyl]-4,5,6,7-tetrachloro-3-[4-(diethylamino)phenyl]-2-benzofuran-1-one
Names & synonyms
BDRQARUYGOUIKS-UHFFFAOYSA-N3-(2,4-bis(dimethylamino)phenyl)-3-(4-(diethylamino)phenyl)-4,5,6,7-tetrachlorophthalide
Database identifiers
- PubChem CID
- 53676727
Properties
Computed structural properties
- XLogP
- 8.1
- Topological polar surface area
- 36 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 791
Related reactions
2 records
Compound notes
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