1,3,3-Trimethyl-2-[2-(2-methylindol-1-yl)ethenyl]indol-1-ium
Basic information
- CAS
6291-25-4- Standard SMILES
Cc1cc2ccccc2n1C=CC1=[N+](C)c2ccccc2C1(C)C- InChIKey
IRXNMOBZJCAZII-UHFFFAOYSA-N- Molecular formula
- C22H23N2+
- Average molar mass
- 315.4 g/mol
- Monoisotopic mass
- 315.18612374
Names & identifiers
- Preferred name
- 1,3,3-Trimethyl-2-[2-(2-methylindol-1-yl)ethenyl]indol-1-ium
- IUPAC
- 1,3,3-trimethyl-2-[2-(2-methylindol-1-yl)ethenyl]indol-1-ium
Names & synonyms
6291-25-4SCHEMBL12039987DTXSID709787021,3,3-Trimethyl-2-[2-(2-methyl-1H-indol-1-yl)ethenyl]-3H-indol-1-ium1,3,3-Trimethyl-2-[2-(2-methyl-1H-indol-1-yl)ethen-1-yl]-3H-indol-1-ium
Database identifiers
- CAS
6291-25-4- PubChem CID
- 407362
- DTXSID
DTXSID70978702
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 7.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 1
- Complexity
- 544
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Compound notes
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