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CHEBI:86491 - spirit blue base

ChEBI IDCHEBI:86491
ChEBI Namespirit blue base
Stars
DefinitionAn aromatic amime that is the base component of spirit blue dye (the hydrochloride salt).
Last Modified15 July 2015
SubmitterSteve
DownloadsMolfile
FormulaC37H29N3
Net Charge0
Average Mass515.660
Monoisotopic Mass515.23615
SMILESC1=CC(=C(c2ccc(Nc3ccccc3)cc2)c2ccc(Nc3ccccc3)cc2)C=CC1=Nc1ccccc1
InChIInChI=1S/C37H29N3/c1-4-10-31(11-5-1)38-34-22-16-28(17-23-34)37(29-18-24-35(25-19-29)39-32-12-6-2-7-13-32)30-20-26-36(27-21-30)40-33-14-8-3-9-15-33/h1-27,38-39H
InChIKeyMIIMIZNJMPQNKO-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Application:
dye 
ChEBI Ontology
Outgoing Relation(s)
spirit blue base (CHEBI:86491) has role dye (CHEBI:37958)
spirit blue base (CHEBI:86491) is a aromatic amine (CHEBI:33860)
spirit blue base (CHEBI:86491) is a imine (CHEBI:24783)
spirit blue base (CHEBI:86491) is a olefinic compound (CHEBI:78840)
spirit blue base (CHEBI:86491) is a secondary amino compound (CHEBI:50995)
spirit blue base (CHEBI:86491) is conjugate base of spirit blue(1+) (CHEBI:86495)
Incoming Relation(s)
spirit blue(1+) (CHEBI:86495) is conjugate acid of spirit blue base (CHEBI:86491)
IUPAC Name 
N,N'-[{[4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methylene}di(4,1-phenylene)]dianiline
Registry NumbersSources
Reaxys:2792073Reaxys
CAS:22244-16-2ChemIDplus