Basic information
- Standard SMILES
CCCCCCCCC=CCCCCCCCC(=O)N1C(=O)C(c2c[nH]c3ccccc23)=C(c2cn(C)c3cc([N+](=O)[O-])ccc23)C1=O- InChIKey
KKEQIEIAWWPILV-UHFFFAOYSA-N- Molecular formula
- C39H46N4O5
- Average molar mass
- 650.8 g/mol
Names & identifiers
- Preferred name
- 3-(1H-Indol-3-yl)-4-(1-methyl-6-nitro-1H-indol-3-yl)-1-octadec-9-enoyl-pyrrole-2,5-dione
- IUPAC
- 3-(1H-indol-3-yl)-4-(1-methyl-6-nitroindol-3-yl)-1-octadec-9-enoylpyrrole-2,5-dione
Names & synonyms
SCHEMBL6425124KKEQIEIAWWPILV-UHFFFAOYSA-N3-(1H-Indol-3-yl)-4-(1-methyl-6-nitro-1H-indol-3-yl)-1-octadec-9-enoyl-pyrrole-2,5-dione
Database identifiers
- PubChem CID
- 69776535
Properties
Computed structural properties
- XLogP
- 10
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 17
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,190
Related reactions
2 records
Compound notes
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