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(1E,1'E)-1,1'-(3,6-di-tert-butyl-9H-carbazole-1,8-diyl)bis(N-mesitylmethanimine)

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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/GHGFCEMMULADQX-IFQUFVRCSA-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/C40H47N3/c1-23-13-25(3)35(26(4)14-23)41-21-29-17-31(39(7,8)9)19-33-34-20-32(40(10,11)12)18-30(38(34)43-37(29)33)22-42-36-27(5)15-24(2)16-28(36)6/h13-22,43H,1-12H3/b41-21+,42-22+, and canonical SMILES descriptor[cheminf_000007]: Cc1cc(C)c(c(c1)C)/N=C/c1cc(cc2c1[nH]c1c2cc(cc1/C=N/c1c(C)cc(cc1C)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-51915 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]: Melting point descriptor[CHEMINF_000256]: 205.0 - 230.0 (°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:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR) CHMO:0000604 | heteronuclear single quantum coherence (HSQC) CHMO:0000599 | correlation spectroscopy (COSY) CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT) CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT) CHMO:0000601 | heteronuclear multiple bond coherence (HMBC) 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
提供机构:
chemotion-repository
创建时间:
2025-07-16
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