4,16-di(4-(2-thienyl)-N,N-bis(3,4,5-methoxyphenyl)aniline)[2.2]paracyclophane

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/C72H70N2O12S2/c1-75-57-35-51(36-58(76-2)69(57)83-9)73(52-37-59(77-3)70(84-10)60(38-52)78-4)49-25-21-47(22-26-49)65-29-31-67(87-65)55-33-43-13-17-45(55)19-15-44-14-18-46(20-16-43)56(34-44)68-32-30-66(88-68)48-23-27-50(28-24-48)74(53-39-61(79-5)71(85-11)62(40-53)80-6)54-41-63(81-7)72(86-12)64(42-54)82-8/h13-14,17-18,21-42H,15-16,19-20H2,1-12H3, and canonical SMILES descriptor[cheminf_000007]: COc1cc(cc(c1OC)OC)N(c1cc(OC)c(c(c1)OC)OC)c1ccc(cc1)c1ccc(s1)c1cc2CCc3ccc(CCc1cc2)cc3c1ccc(s1)c1ccc(cc1)N(c1cc(OC)c(c(c1)OC)OC)c1cc(OC)c(c(c1)OC)OC, 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-28434 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]: Melting point descriptor[CHEMINF_000256]: 400.0 (°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:0001146 | 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) 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