8-[6-[6-(6-quinolin-8-ylpyridin-2-yl)pyridin-2-yl]pyridin-2-yl]quinoline

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/C33H21N5/c1-8-22-10-6-20-34-32(22)24(12-1)26-14-3-16-28(36-26)30-18-5-19-31(38-30)29-17-4-15-27(37-29)25-13-2-9-23-11-7-21-35-33(23)25/h1-21H, and canonical SMILES descriptor[cheminf_000007]: c1cc(nc(c1)c1cccc(n1)c1cccc2c1nccc2)c1cccc(n1)c1cccc2c1nccc2, and by the IUPAC name[cheminf_000107]: 8-[6-[6-(6-quinolin-8-ylpyridin-2-yl)pyridin-2-yl]pyridin-2-yl]quinoline.

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-51846

The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
Melting point descriptor[CHEMINF_000256]: 249.0 (°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:0000601 | heteronuclear multiple bond coherence (HMBC)

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

CHMO:0000604 | heteronuclear single quantum coherence (HSQC)

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

CHMO:0000599 | correlation spectroscopy (COSY)

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

CHMO:0000470 | mass spectrometry (MS)

CHMO:0000630 | infrared absorption spectroscopy (IR)

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