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3,6-di-tert-butyl-1,8-bis((E)-(methyl(phenyl)-l4-azaneylidene)methyl)-9H-carbazole

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DataCite Commons2025-07-16 更新2026-04-25 收录
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https://www.chemotion-repository.net/inchikey/NPLQJBCPOSNZEZ-DNJOOXRZSA-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/C36H39N3/c1-23(37-27-15-11-9-12-16-27)29-19-25(35(3,4)5)21-31-32-22-26(36(6,7)8)20-30(34(32)39-33(29)31)24(2)38-28-17-13-10-14-18-28/h9-22,39H,1-8H3/b37-23+,38-24+, and canonical SMILES descriptor[cheminf_000007]: C/C(=N\c1ccccc1)/c1cc(cc2c1[nH]c1c2cc(cc1/C(=N/c1ccccc1)/C)C(C)(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-51927 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]: Melting point descriptor[CHEMINF_000256]: 209.0 (°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:0000599 | correlation spectroscopy (COSY) CHMO:0000630 | infrared absorption spectroscopy (IR) CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR) CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT) CHMO:0000604 | heteronuclear single quantum coherence (HSQC) CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT) CHMO:0000601 | heteronuclear multiple bond coherence (HMBC) 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
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chemotion-repository
创建时间:
2025-07-16
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