Basic information
- CAS
68134-08-7- Standard SMILES
CC(O)CNc1nc(Nc2ccccc2)nc(Nc2ccc(/C=C/c3ccc(Nc4nc(NCC(C)O)nc(Nc5ccccc5)n4)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)n1- InChIKey
DKFWHEWGAAGQSK-BUHFOSPRSA-N- Molecular formula
- C38H40N12O8S2
- Average molar mass
- 856.9 g/mol
- Monoisotopic mass
- 856.25334863
Names & identifiers
- Preferred name
- 4,4'-Bis((6-anilino-4-((2-hydroxypropyl)amino)-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonic acid
- IUPAC
- 5-[[4-anilino-6-(2-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-anilino-6-(2-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid
Names & synonyms
EINECS 268-727-8NS000914424,4'-Bis((6-anilino-4-((2-hydroxypropyl)amino)-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonic acid
Database identifiers
- CAS
68134-08-7- PubChem CID
- 6440902
- Nikkaji
- J334.059G
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 315 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 20
- Rotatable bonds
- 18
- Heavy atoms
- 60
- Formal charge
- 0
- Complexity
- 1,440
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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