3-[1-(4-Bromophenyl)pyrrol-2-yl]-2-naphthalen-2-ylprop-2-enenitrile
Basic information
- CAS
5501-13-3- Standard SMILES
N#CC(=Cc1cccn1-c1ccc(Br)cc1)c1ccc2ccccc2c1- InChIKey
JMGHBGWQOJQQEM-UHFFFAOYSA-N- Molecular formula
- C23H15BrN2
- Average molar mass
- 399.3 g/mol
- Monoisotopic mass
- 398.04186
Names & identifiers
- Preferred name
- 3-[1-(4-Bromophenyl)pyrrol-2-yl]-2-naphthalen-2-ylprop-2-enenitrile
- IUPAC
- 3-[1-(4-bromophenyl)pyrrol-2-yl]-2-naphthalen-2-ylprop-2-enenitrile
Names & synonyms
5501-13-33-[1-(4-bromophenyl)pyrrol-2-yl]-2-naphthalen-2-ylprop-2-enenitrileDTXSID204116543-[1-(4-Bromophenyl)-1H-pyrrol-2-yl]-2-(naphthalen-2-yl)prop-2-enenitrile
Database identifiers
- CAS
5501-13-3- PubChem CID
- 5228934
- DTXSID
DTXSID20411654
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 554
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Compound notes
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