9'-(tetrazolo[1,5-a]quinoxalin-4-yl)-9'H-9,3':6',9''-tercarbazole

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/C44H26N8/c1-6-16-36-29(11-1)30-12-2-7-17-37(30)49(36)27-21-23-40-33(25-27)34-26-28(50-38-18-8-3-13-31(38)32-14-4-9-19-39(32)50)22-24-41(34)51(40)43-44-46-47-48-52(44)42-20-10-5-15-35(42)45-43/h1-26H, and canonical SMILES descriptor[cheminf_000007]: c1ccc2c(c1)n1nnnc1c(n2)n1c2ccc(cc2c2c1ccc(c2)n1c2ccccc2c2c1cccc2)n1c2ccccc2c2c1cccc2, 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-30074

The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
Melting point descriptor[CHEMINF_000256]: 165.4 - 190.3 (°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:0001146 | 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

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

CHMO:0000630 | infrared absorption spectroscopy (IR)

CHMO:0000470 | mass spectrometry (MS)

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

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

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

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