N-(2-(2,2-Di(1H-indol-3-yl)ethyl)phenyl)-4-nitrobenzamide
Basic information
- CAS
88048-47-9- Standard SMILES
O=C(Nc1ccccc1CC(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12)c1ccc([N+](=O)[O-])cc1- InChIKey
DEOJUNLAQAGCEY-UHFFFAOYSA-N- Molecular formula
- C31H24N4O3
- Average molar mass
- 500.5 g/mol
- Monoisotopic mass
- 500.18484064
Names & identifiers
- Preferred name
- N-(2-(2,2-Di(1H-indol-3-yl)ethyl)phenyl)-4-nitrobenzamide
- IUPAC
- N-[2-[2,2-bis(1H-indol-3-yl)ethyl]phenyl]-4-nitrobenzamide
Names & synonyms
88048-47-9N-(2-(2,2-Di(1H-indol-3-yl)ethyl)phenyl)-4-nitrobenzamideN-{2-[2,2-Di(1H-indol-3-yl)ethyl]phenyl}-4-nitrobenzamideDTXSID90618057
Database identifiers
- CAS
88048-47-9- PubChem CID
- 21789263
- DTXSID
DTXSID90618057
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 792
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Compound notes
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