Basic information
- CAS
14684-01-6- Standard SMILES
Nc1c(N=Nc2ccc(-c3ccc(N=Nc4cc(S(=O)(=O)O)c5ccccc5c4N)cc3)cc2)cc(S(=O)(=O)O)c2ccccc12- InChIKey
HFHIDKQMGIGARX-UHFFFAOYSA-N- Molecular formula
- C32H24N6O6S2
- Average molar mass
- 652.7 g/mol
- Monoisotopic mass
- 652.11987449
Overview
3,3'-(biphenyl-4,4'-diyldidiazene-2,1-diyl)bis(4-aminonaphthalene-1-sulfonic acid) is a naphthalenesulfonic acid. It is a conjugate acid of a 3,3'-(biphenyl-4,4'-diyldidiazene-2,1-diyl)bis(4-aminonaphthalene-1-sulfonate).
Names & identifiers
- Preferred name
- 3,3'-((1,1'-Biphenyl)-4,4'-diylbis(2,1-diazenediyl))bis(4-amino-1-naphthalenesulfonic acid)
- IUPAC
- 4-amino-3-[[4-[4-[(1-amino-4-sulfonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1-sulfonic acid
Names & synonyms
8KB6BS2FOHC.I. Direct Red 28 parent14684-01-6DTXSID00484281-Naphthalenesulfonic acid, 3,3'-((1,1'-biphenyl)-4,4'-diylbis(2,1-diazenediyl))bis(4-amino-1-Naphthalenesulfonic acid, 3,3'-((1,1'-biphenyl)-4,4'-diylbis(azo))bis(4-amino-3,3'-((1,1'-Biphenyl)-4,4'-diylbis(2,1-diazenediyl))bis(4-amino-1-naphthalenesulfonic acid)RefChem:1065519DTXCID80809750Congo Red free acidUNII-8KB6BS2FOH3,3'-(biphenyl-4,4'-diyldidiazene-2,1-diyl)bis(4-aminonaphthalene-1-sulfonic acid)
Show more names
KongorotC.I. DIRECT RED 28 FREE ACIDBenzo Congo RedDirect Red CCongo Red 4BCI Direct Red 28NSC7232Cosmos Red
Database identifiers
- CAS
14684-01-6、573-58-0- PubChem CID
- 11314
- DTXSID
DTXSID0048428- ChEMBL
CHEMBL116955、CHEMBL1206150
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 227 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 7
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,200
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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