Basic information
- CAS
62833-72-1- Standard SMILES
CC(=O)/C(=C\c1ccc(N(C)C)cc1)C(=O)c1c(-c2ccccc2)[nH]c2ccccc12- InChIKey
IXEWIHPBTHPLML-HAVVHWLPSA-N- Molecular formula
- C27H24N2O2
- Average molar mass
- 408.5 g/mol
- Monoisotopic mass
- 408.18377801
Names & identifiers
- Preferred name
- 1,3-Butanedione, 2-((4-(dimethylamino)phenyl)methylene)-1-(2-phenyl-1H-indol-3-yl)-
- IUPAC
- (2E)-2-[[4-(dimethylamino)phenyl]methylidene]-1-(2-phenyl-1H-indol-3-yl)butane-1,3-dione
Names & synonyms
1,3-Butanedione, 2-((4-(dimethylamino)phenyl)methylene)-1-(2-phenyl-1H-indol-3-yl)-62833-72-1RefChem:1052755BRN 04492672-((4-(Dimethylamino)phenyl)methylene)-1-(2-phenyl-1H-indol-3-yl)-1,3-butanedione5-22-13-00354 (Beilstein Handbook Reference)
Database identifiers
- CAS
62833-72-1- PubChem CID
- 6446572
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 53.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 671
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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