Brilliant Purpurin R
Basic information
- CAS
25188-31-2- Standard SMILES
Cc1cc(-c2ccc(N=Nc3c(N)c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)ccc34)c(C)c2)ccc1N=Nc1cc(S(=O)(=O)O)c2ccccc2c1N- InChIKey
LIFWPZLVTZZVLJ-UHFFFAOYSA-N- Molecular formula
- C34H28N6O9S3
- Average molar mass
- 760.8 g/mol
- Monoisotopic mass
- 760.10798948
Names & identifiers
- Preferred name
- Brilliant Purpurin R
- IUPAC
- 3-amino-4-[[4-[4-[(1-amino-4-sulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]naphthalene-2,7-disulfonic acid
Names & synonyms
C.I. Direct Red 15CHEMBL10920775413-69-4Brilliant Purpurin RC.I. Direct Red 15, trisodium saltC.I. Direct Red 15 trisodium saltBrilliant Purpurine RTertrodirect Scarlet PRSCHEMBL7804546SCHEMBL14418367NSC7815DTXSID501023622
Show more names
NSC-7815BDBM5031606325188-31-2C.I. 235102, 3-amino-4-[[4'-[(1-amino-4-sulfo-2-naphthalenyl)azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]-, trisodium salt3-amino-4-((4''-((1-amino-4-sulfonaphthalen-2-yl)diazenyl)biphenyl-4-yl)diazenyl)naphthalene-2,7-disulfonic acid
Database identifiers
- CAS
25188-31-2、5413-69-4- PubChem CID
- 407620
- DTXSID
DTXSID501023622- ChEMBL
CHEMBL1092077- EC Number
- 607-618-5、611-099-0
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 290 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 8
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 1,650
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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