Basic information
- Standard SMILES
CCn1c(C)c(C2(c3ccc(N(C)C)cc3N(C)C)OC(=O)c3cc([N+](=O)[O-])ccc32)c2ccccc21- InChIKey
XYQSRUPMVRGDGO-UHFFFAOYSA-N- Molecular formula
- C29H30N4O4
- Average molar mass
- 498.6 g/mol
Names & identifiers
- Preferred name
- 3-[2,4-Bis(dimethylamino)phenyl]-3-(1-ethyl-2-methyl-3-indolyl)-6-nitrophthalide
- IUPAC
- 3-[2,4-bis(dimethylamino)phenyl]-3-(1-ethyl-2-methylindol-3-yl)-6-nitro-2-benzofuran-1-one
Names & synonyms
SCHEMBL11244074XYQSRUPMVRGDGO-UHFFFAOYSA-N3-[2,4-bis(dimethylamino)phenyl]-3(1-ethyl-2-methyl-3-indolyl)-6-nitrophthalide3-[2,4-bis(dimethylamino)phenyl]-3-(1-ethyl-2-methyl-3-indolyl)-6-nitrophthalide
Database identifiers
- PubChem CID
- 20523544
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 83.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 861
Related reactions
9 records
Compound notes
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