brilliant blue G

Ligand id: 4147

Name: brilliant blue G

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 15
Topological polar surface area 158.67
Molecular weight 853.28
XLogP 9.81
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
sodium 3-({[(1E,4E)-4-({4-[(4-ethoxyphenyl)amino]phenyl}(4-{ethyl[(4-sulfonatophenyl)methyl]amino}-2-methylphenyl)methylidene)-3-methylcyclohexa-2,5-dien-1-ylidene](ethyl)azaniumyl}methyl)benzene-1-sulfonate
Database Links
CAS Registry No. 6104-58-1 (source: Scifinder)
PubChem CID 73755082
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