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3,6-bis(3,6-di-tert-butyl-9H-carbazol-9-yl)-10-fluorodibenzo[a,c]phenazine

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DataCite Commons2025-05-21 更新2025-06-14 收录
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https://www.chemotion-repository.net/inchikey/ORNLRXKMXKFGED-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/C60H57FN4/c1-57(2,3)34-16-24-50-44(28-34)45-29-35(58(4,5)6)17-25-51(45)64(50)38-20-22-40-42(32-38)43-33-39(21-23-41(43)55-54(40)62-49-15-13-14-48(61)56(49)63-55)65-52-26-18-36(59(7,8)9)30-46(52)47-31-37(60(10,11)12)19-27-53(47)65/h13-33H,1-12H3, and canonical SMILES descriptor[cheminf_000007]: Fc1cccc2c1nc1c3ccc(cc3c3c(c1n2)ccc(c3)n1c2ccc(cc2c2c1ccc(c2)C(C)(C)C)C(C)(C)C)n1c2ccc(cc2c2c1ccc(c2)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-24671 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:0000597 | 19F nuclear magnetic resonance spectroscopy (19F NMR) CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR) CHMO:0000470 | mass spectrometry (MS) CHMO:0000630 | infrared absorption spectroscopy (IR) CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR) 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:
2025-05-21
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