2,2',2''-(1,3,5-Triazine-2,4,6-triyltris(imino-p-phenyleneiminovinylene))tris(1,3,3-trimethyl-3H-indolium) trichloride
Basic information
- CAS
80587-85-5- Standard SMILES
C[N+]1=C(/C=C/Nc2ccc(Nc3nc(Nc4ccc(N/C=C/C5=[N+](C)c6ccccc6C5(C)C)cc4)nc(Nc4ccc(N/C=C/C5=[N+](C)c6ccccc6C5(C)C)cc4)n3)cc2)C(C)(C)c2ccccc21.[Cl-].[Cl-].[Cl-]- InChIKey
VXIAUDAZVJCUBR-UHFFFAOYSA-N- Molecular formula
- C60H63Cl3N12
- Average molar mass
- 1,058.6 g/mol
- Monoisotopic mass
- 1,056.436423
Names & identifiers
- Preferred name
- 2,2',2''-(1,3,5-Triazine-2,4,6-triyltris(imino-p-phenyleneiminovinylene))tris(1,3,3-trimethyl-3H-indolium) trichloride
- IUPAC
- 2-N,4-N,6-N-tris[4-[[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]amino]phenyl]-1,3,5-triazine-2,4,6-triamine trichloride
Names & synonyms
EINECS 279-512-32,2',2''-(1,3,5-Triazine-2,4,6-triyltris(imino-p-phenyleneiminovinylene))tris(1,3,3-trimethyl-3H-indolium) trichloride80587-85-5
Database identifiers
- CAS
80587-85-5- PubChem CID
- 44152011
- EC Number
- 279-512-3
Properties
Computed structural properties
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 15
- Heavy atoms
- 75
- Formal charge
- 0
- Complexity
- 1,800
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…