Basic information
- CAS
72828-90-1- Standard SMILES
CCN(CC)c1ccc(C(=C2C(c3ccccc3)=[N+](C)c3ccccc32)c2ccccc2Cl)cc1.[Cl-]- InChIKey
HIRNHRKPJDWKSO-UHFFFAOYSA-M- Molecular formula
- C32H30Cl2N2
- Average molar mass
- 513.5 g/mol
- Monoisotopic mass
- 512.1786044
Names & identifiers
- Preferred name
- Ethanaminium, N-[4-[(2-chlorophenyl)(1-methyl-2-phenyl-1H-indol-3-yl)methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, chloride (1:1)
- IUPAC
- 4-[(2-chlorophenyl)-(1-methyl-2-phenylindol-1-ium-3-ylidene)methyl]-N,N-diethylaniline chloride
Names & synonyms
72828-90-1Ethanaminium, N-[4-[(2-chlorophenyl)(1-methyl-2-phenyl-1H-indol-3-yl)methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, chlorideDTXSID30887801EINECS 276-894-3Ethanaminium, N-(4-((2-chlorophenyl)(1-methyl-2-phenyl-1H-indol-3-yl)methylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-, chlorideRefChem:138109DTXCID501027086Ethanaminium, N-(4-((2-chlorophenyl)(1-methyl-2-phenyl-1H-indol-3-yl)methylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-, chloride (1:1)Ethanaminium, N-[4-[(2-chlorophenyl)(1-methyl-2-phenyl-1H-indol-3-yl)methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, chloride (1:1)N-(4-((2-Chlorophenyl)(1-methyl-2-phenyl-1H-indol-3-yl)methyl)-2,5-cyclohexadien-1-ylidene)-N-ethylethanaminium chlorideSCHEMBL4655784HIRNHRKPJDWKSO-UHFFFAOYSA-M
Show more names
NS00090564
Properties
Computed structural properties
- Topological polar surface area
- 6.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 766
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…