(1E,1'E)-1,1'-(3,6-di-tert-butyl-9H-carbazole-1,8-diyl)bis(N-phenylmethanimine)
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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/C34H35N3/c1-33(2,3)25-17-23(21-35-27-13-9-7-10-14-27)31-29(19-25)30-20-26(34(4,5)6)18-24(32(30)37-31)22-36-28-15-11-8-12-16-28/h7-22,37H,1-6H3/b35-21+,36-22+, and canonical SMILES descriptor[cheminf_000007]: CC(c1cc(/C=N/c2ccccc2)c2c(c1)c1cc(cc(c1[nH]2)/C=N/c1ccccc1)C(C)(C)C)(C)C, 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-51857
The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
Melting point descriptor[CHEMINF_000256]: 220.0 - 260.0 (°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:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
CHMO:0000599 | correlation spectroscopy (COSY)
CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
CHMO:0000601 | heteronuclear multiple bond coherence (HMBC)
CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
CHMO:0000604 | heteronuclear single quantum coherence (HSQC)
CHMO:0000630 | infrared absorption spectroscopy (IR)
CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
CHMO:0000470 | mass spectrometry (MS)
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:
2025-12-19



