5-{[4'-({4-[(4-Amino-7-sulfonaphthalen-1-yl)diazenyl]-6-sulfonaphthalen-1-yl}diazenyl)[1,1'-biphenyl]-4-yl]diazenyl}-2-hydroxybenzoic acid
Basic information
- CAS
25180-40-9- Standard SMILES
Nc1ccc(N=Nc2ccc(N=Nc3ccc(-c4ccc(N=Nc5ccc(O)c(C(=O)O)c5)cc4)cc3)c3ccc(S(=O)(=O)O)cc23)c2cc(S(=O)(=O)O)ccc12- InChIKey
CUNNYUYNEAFVBM-UHFFFAOYSA-N- Molecular formula
- C39H27N7O9S2
- Average molar mass
- 801.8 g/mol
- Monoisotopic mass
- 801.13116781
Names & identifiers
- Preferred name
- 5-{[4'-({4-[(4-Amino-7-sulfonaphthalen-1-yl)diazenyl]-6-sulfonaphthalen-1-yl}diazenyl)[1,1'-biphenyl]-4-yl]diazenyl}-2-hydroxybenzoic acid
- IUPAC
- 5-[[4-[4-[[4-[(4-amino-7-sulfonaphthalen-1-yl)diazenyl]-6-sulfonaphthalen-1-yl]diazenyl]phenyl]phenyl]diazenyl]-2-hydroxybenzoic acid
Names & synonyms
DTXSID0086375825180-40-95-{[4'-({4-[(4-Amino-7-sulfonaphthalen-1-yl)diazenyl]-6-sulfonaphthalen-1-yl}diazenyl)[1,1'-biphenyl]-4-yl]diazenyl}-2-hydroxybenzoic acid
Database identifiers
- CAS
25180-40-9- PubChem CID
- 165448
- DTXSID
DTXSID00863758- EC Number
- 607-600-7
Properties
Computed structural properties
- XLogP
- 7.9
- Topological polar surface area
- 283 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 10
- Heavy atoms
- 57
- Formal charge
- 0
- Complexity
- 1,690
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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