5,10-dibromo-2,3,7,8-tetrakis[4-(2-ethylhexyl)phenyl]pyrazino[2,3-g]quinoxaline

This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367].
The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]:
InChI descriptor[cheminf_000113]: InChI=1S/C66H84Br2N4/c1-9-17-21-45(13-5)41-49-25-33-53(34-26-49)59-60(54-35-27-50(28-36-54)42-46(14-6)22-18-10-2)70-64-58(68)66-65(57(67)63(64)69-59)71-61(55-37-29-51(30-38-55)43-47(15-7)23-19-11-3)62(72-66)56-39-31-52(32-40-56)44-48(16-8)24-20-12-4/h25-40,45-48H,9-24,41-44H2,1-8H3, and canonical SMILES descriptor[cheminf_000007]: CCCCC(Cc1ccc(cc1)c1nc2c(Br)c3nc(c4ccc(cc4)CC(CCCC)CC)c(nc3c(c2nc1c1ccc(cc1)CC(CCCC)CC)Br)c1ccc(cc1)CC(CCCC)CC)CC, and by the IUPAC name[cheminf_000107]: 5,10-dibromo-2,3,7,8-tetrakis[4-(2-ethylhexyl)phenyl]pyrazino[2,3-g]quinoxaline.

The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]:

The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-50797

The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
Melting point descriptor[CHEMINF_000256]:
Boiling point descriptor[CHEMINF_000257]:
Refractive index descriptor[CHEMINF_000253]:

The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]:

CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)

CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)

CHMO:0001150 | 1H--1H correlation spectroscopy (1H-1H COSY)

CHMO:0001146 | 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)

CHMO:0001148 | 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)

The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID:

Used ontologies:
CHEBI - Chemical Entities of Biological Interest
CHEMINF - chemical information ontology (information entities about chemical entities)
CHMO - Chemical Methods Ontology
OBI - Ontology for Biomedical Investigations