Name
Brilliant green
Drug Entry
Brilliant green cation

Brilliant green, or ethanaminium, is a derivative of triarylmethane dye that has been used as a dye to color silk and wool. Due to its inhibitory actions against Gram positive microorganisms, brilliant green can be found in antiseptic products such as solutions and swabs used to prevent infection.

Accession Number
DBSALT002749
Structure
Synonyms
(4-(4-(Diethylamino)benzhydrylene)cyclohexa-2,5-dien-1-ylidene)diethylammonium hydrogen sulphate / Basic Green 1 / C.I. Basic Green 1 / Malachite green G / Solid Green
External IDs
C.I. 42040 / CI 42040
UNII
G0L543D370
CAS Number
633-03-4
Weight
Average: 482.64
Monoisotopic: 482.223928757
Chemical Formula
C27H34N2O4S
InChI Key
NNBFNNNWANBMTI-UHFFFAOYSA-M
InChI
InChI=1S/C27H33N2.H2O4S/c1-5-28(6-2)25-18-14-23(15-19-25)27(22-12-10-9-11-13-22)24-16-20-26(21-17-24)29(7-3)8-4;1-5(2,3)4/h9-21H,5-8H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1
IUPAC Name
4-{[4-(diethylamino)phenyl](phenyl)methylidene}-N,N-diethylcyclohexa-2,5-dien-1-iminium hydrogen sulfate
SMILES
OS([O-])(=O)=O.CCN(CC)C1=CC=C(C=C1)C(C1=CC=CC=C1)=C1C=CC(C=C1)=[N+](CC)CC
ChemSpider
11941
ChEBI
88173
ChEMBL
CHEMBL1790039
Wikipedia
Brilliant_Green
Predicted Properties
PropertyValueSource
Water Solubility0.000348 mg/mLALOGPS
logP2.79ALOGPS
logP2.71Chemaxon
logS-6.1ALOGPS
pKa (Strongest Basic)5.36Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count1Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area6.25 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity150.57 m3·mol-1Chemaxon
Polarizability47.39 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleYesChemaxon