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11,11'-(2,5-dimethyl-1,4-phenylene)bis(3,6-bis(9,9-dimethylacridin-10(9H)-yl)dibenzo[a,c]phenazine)

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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/MIKRQTHONBNINE-UHFFFAOYSA-N.2
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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/C108H82N8/c1-63-55-76(66-44-54-90-92(58-66)112-104-74-52-48-70(116-99-41-25-17-33-87(99)108(9,10)88-34-18-26-42-100(88)116)62-80(74)78-60-68(46-50-72(78)102(104)110-90)114-95-37-21-13-29-83(95)106(5,6)84-30-14-22-38-96(84)114)64(2)56-75(63)65-43-53-89-91(57-65)111-103-73-51-47-69(115-97-39-23-15-31-85(97)107(7,8)86-32-16-24-40-98(86)115)61-79(73)77-59-67(45-49-71(77)101(103)109-89)113-93-35-19-11-27-81(93)105(3,4)82-28-12-20-36-94(82)113/h11-62H,1-10H3, and canonical SMILES descriptor[cheminf_000007]: Cc1cc(c(cc1c1ccc2c(c1)nc1c(n2)c2ccc(cc2c2c1ccc(c2)N1c2ccccc2C(c2c1cccc2)(C)C)N1c2ccccc2C(c2c1cccc2)(C)C)C)c1ccc2c(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-48002 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) 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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