CHEBI:86491 - spirit blue base

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name spirit blue base
ChEBI ID CHEBI:86491
Definition An aromatic amime that is the base component of spirit blue dye (the hydrochloride salt).
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C37H29N3
Net Charge 0
Average Mass 515.64630
Monoisotopic Mass 515.23615
InChI InChI=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
InChIKey MIIMIZNJMPQNKO-UHFFFAOYSA-N
SMILES N(c1ccccc1)c1ccc(cc1)C(=C1C=CC(C=C1)=Nc1ccccc1)c1ccc(Nc2ccccc2)cc1
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Application(s): dye

View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 Numbers Types Sources
22244-16-2 CAS Registry Number ChemIDplus
2792073 Reaxys Registry Number Reaxys
Last Modified
15 July 2015