Basic information
- CAS
90162-59-7- Standard SMILES
Cc1[nH]c2ccccc2c1/C=C/C1=Nc2ccccc2C1(C)C- InChIKey
OJTOZPNKYBRDMH-OUKQBFOZSA-N- Molecular formula
- C21H20N2
- Average molar mass
- 300.4 g/mol
- Monoisotopic mass
- 300.16264865
Names & identifiers
- Preferred name
- 3-[2-(3,3-Dimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]-2-methyl-3H-indole
- IUPAC
- 3,3-dimethyl-2-[(E)-2-(2-methyl-1H-indol-3-yl)ethenyl]indole
Names & synonyms
CHEMBL2435236DTXSID608486073-[2-(3,3-Dimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]-2-methyl-3H-indole90162-59-7
Database identifiers
- CAS
90162-59-7- PubChem CID
- 136239397
- DTXSID
DTXSID60848607- ChEMBL
CHEMBL2435236
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 504
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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