10-(4-(1-(quinoxalin-2-yl)-1H-1,2,3-triazol-4-yl)phenyl)-10H-phenoxazine

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/C28H18N6O/c1-2-8-22-21(7-1)29-17-28(30-22)33-18-23(31-32-33)19-13-15-20(16-14-19)34-24-9-3-5-11-26(24)35-27-12-6-4-10-25(27)34/h1-18H, and canonical SMILES descriptor[cheminf_000007]: c1ccc2c(c1)Oc1c(N2c2ccc(cc2)c2nnn(c2)c2cnc3c(n2)cccc3)cccc1, and by the IUPAC name[cheminf_000107]: .

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-32971

The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
Melting point descriptor[CHEMINF_000256]: 250.2 - 256.7 (°C)
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:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)

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

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

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

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

CHMO:0000470 | mass spectrometry (MS)

CHMO:0000630 | infrared absorption spectroscopy (IR)

CHMO:0000025 | cyclic voltammetry (CV)

CHMO:0000292 | ultraviolet-visible spectrophotometry (UV-VIS)

CHMO:0000292 | ultraviolet-visible spectrophotometry (UV-VIS)

CHMO:0002522 | excitation--emission matrix fluorescence spectroscopy (EEM)

CHMO:0000159 | single crystal X-ray diffraction (single-crystal X-ray diffraction)

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