9,9',9''-(5-bromobenzene-1,2,3-triyl)tris(9H-carbazole)

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/C42H26BrN3/c43-27-25-40(44-34-19-7-1-13-28(34)29-14-2-8-20-35(29)44)42(46-38-23-11-5-17-32(38)33-18-6-12-24-39(33)46)41(26-27)45-36-21-9-3-15-30(36)31-16-4-10-22-37(31)45/h1-26H, and canonical SMILES descriptor[cheminf_000007]: Brc1cc(n2c3ccccc3c3c2cccc3)c(c(c1)n1c2ccccc2c2c1cccc2)n1c2ccccc2c2c1cccc2, and by the IUPAC name[cheminf_000107]: 9-[4-bromo-2,6-di(carbazol-9-yl)phenyl]carbazole.

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-27773

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: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:0000470 | mass spectrometry (MS)

CHMO:0000630 | infrared absorption spectroscopy (IR)

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