N3,N3,N6,N6-tetraphenyl-9-(tetrazolo[1,5-a]quinoxalin-4-yl)-9H-carbazole-3,6-diamine
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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/C44H30N8/c1-5-15-31(16-6-1)49(32-17-7-2-8-18-32)35-25-27-40-37(29-35)38-30-36(50(33-19-9-3-10-20-33)34-21-11-4-12-22-34)26-28-41(38)51(40)43-44-46-47-48-52(44)42-24-14-13-23-39(42)45-43/h1-30H, and canonical SMILES descriptor[cheminf_000007]: c1ccc(cc1)N(c1ccc2c(c1)c1cc(ccc1n2c1nc2ccccc2n2c1nnn2)N(c1ccccc1)c1ccccc1)c1ccccc1, 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-30046
The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
Melting point descriptor[CHEMINF_000256]: 182.3 - 200.1 (°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:0001148 | 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
CHMO:0001150 | 1H--1H correlation spectroscopy (1H-1H COSY)
CHMO:0000470 | mass spectrometry (MS)
CHMO:0000630 | infrared absorption spectroscopy (IR)
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
提供机构:
chemotion-repository
创建时间:
2025-05-08



