Basic information
- Standard SMILES
CCCCN(CCCC)c1ccc2c(c1)Cc1cc(-c3ccc(C=C(C#N)C(=O)O)s3)ccc1-2- InChIKey
RLMRWJRBIMCJNJ-UHFFFAOYSA-N- Molecular formula
- C29H30N2O2S
- Average molar mass
- 470.6 g/mol
- Monoisotopic mass
- 470.20279938
Names & identifiers
- Preferred name
- 2-cyano-3-[5-(7-dibutylamino-9H-fluoren-2-yl)-thiophen-2-yl]-acrylic acid
- IUPAC
- 2-cyano-3-[5-[7-(dibutylamino)-9H-fluoren-2-yl]thiophen-2-yl]prop-2-enoic acid
Names & synonyms
SCHEMBL663727RLMRWJRBIMCJNJ-UHFFFAOYSA-N2-cyano-3-[5-(7-dibutylamino-9H-fluoren-2-yl)-thiophen-2-yl]-acrylic acid
Database identifiers
- PubChem CID
- 66762166
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 92.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 765
Related reactions
6 records
Compound notes
Loading…