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12,12'-(2,5-dimethyl-1,4-phenylene)bis(3,6-bis(9,9-dimethylacridin-10(9H)-yl)dibenzo[f,h]pyrido[2,3-b]quinoxaline)

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DataCite Commons2024-11-25 更新2025-04-09 收录
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https://www.chemotion-repository.net/inchikey/DMZUOABUOWFVOT-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/C106H80N10/c1-61-51-74(64-54-88-102(108-60-64)112-100-72-50-46-68(116-95-41-25-17-33-85(95)106(9,10)86-34-18-26-42-96(86)116)58-78(72)76-56-66(44-48-70(76)98(100)110-88)114-91-37-21-13-29-81(91)104(5,6)82-30-14-22-38-92(82)114)62(2)52-73(61)63-53-87-101(107-59-63)111-99-71-49-45-67(115-93-39-23-15-31-83(93)105(7,8)84-32-16-24-40-94(84)115)57-77(71)75-55-65(43-47-69(75)97(99)109-87)113-89-35-19-11-27-79(89)103(3,4)80-28-12-20-36-90(80)113/h11-60H,1-10H3, and canonical SMILES descriptor[cheminf_000007]: Cc1cc(c(cc1c1cnc2c(c1)nc1c(n2)c2ccc(cc2c2c1ccc(c2)N1c2ccccc2C(c2c1cccc2)(C)C)N1c2ccccc2C(c2c1cccc2)(C)C)C)c1cnc2c(c1)nc1c(n2)c2ccc(cc2c2c1ccc(c2)N1c2ccccc2C(c2c1cccc2)(C)C)N1c2ccccc2C(c2c1cccc2)(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-45998 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:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR) CHMO:0000599 | correlation spectroscopy (COSY) CHMO:0000630 | infrared absorption spectroscopy (IR) CHMO:0000292 | ultraviolet-visible spectrophotometry (UV-VIS) 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:
2024-11-25
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