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7,8-bis(4-(di([1,1'-biphenyl]-4-yl)amino)phenyl)phenazine-2,3-dicarbonitrile

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DataCite Commons2025-07-26 更新2026-04-25 收录
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https://www.chemotion-repository.net/inchikey/XNNWJYCHZINNFI-UHFFFAOYSA-N.1
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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/C74H48N6/c75-49-61-45-71-72(46-62(61)50-76)78-74-48-70(60-31-43-68(44-32-60)80(65-37-25-57(26-38-65)53-17-9-3-10-18-53)66-39-27-58(28-40-66)54-19-11-4-12-20-54)69(47-73(74)77-71)59-29-41-67(42-30-59)79(63-33-21-55(22-34-63)51-13-5-1-6-14-51)64-35-23-56(24-36-64)52-15-7-2-8-16-52/h1-48H, and canonical SMILES descriptor[cheminf_000007]: N#Cc1cc2nc3cc(c4ccc(cc4)N(c4ccc(cc4)c4ccccc4)c4ccc(cc4)c4ccccc4)c(cc3nc2cc1C#N)c1ccc(cc1)N(c1ccc(cc1)c1ccccc1)c1ccc(cc1)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-46085 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:0000596 | distortionless enhancement with polarization transfer (DEPT) CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT) CHMO:0001146 | 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) 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:0000292 | ultraviolet-visible spectrophotometry (UV-VIS) CHMO:0000470 | mass spectrometry (MS) CHMO:0000630 | infrared absorption spectroscopy (IR) CHMO:0001148 | 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC) CHMO:0000773 | photoluminescence spectroscopy (PL spectrometry) CHMO:0000025 | cyclic voltammetry (CV) 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:
2025-07-26
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