Tetrakis(4-(trimethylsilylethynyl)phenyl)methane

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/C45H52Si4/c1-46(2,3)33-29-37-13-21-41(22-14-37)45(42-23-15-38(16-24-42)30-34-47(4,5)6,43-25-17-39(18-26-43)31-35-48(7,8)9)44-27-19-40(20-28-44)32-36-49(10,11)12/h13-28H,1-12H3, and canonical SMILES descriptor[cheminf_000007]: C[Si](C#Cc1ccc(cc1)C(c1ccc(cc1)C#C[Si](C)(C)C)(c1ccc(cc1)C#C[Si](C)(C)C)c1ccc(cc1)C#C[Si](C)(C)C)(C)C, and by the IUPAC name[cheminf_000107]: trimethyl-[2-[4-[tris[4-(2-trimethylsilylethynyl)phenyl]methyl]phenyl]ethynyl]silane. 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-32980 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]: Melting point descriptor[CHEMINF_000256]: 319.0 (°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:0000601 | heteronuclear multiple bond coherence (HMBC) CHMO:0000630 | infrared absorption spectroscopy (IR) CHMO:0000498 | high-resolution mass spectrometry (HRMS) CHMO:0000563 | fast-atom bombardment mass spectrometry (FABMS) 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

这是一个与分子[CHEBI_25367]相关联的物理化学实体[CHEBI_24431]。该分子[CHEBI_25367]可通过以下结构描述符（structural desciptors）[cheminf_000085]进行描述：InChI描述符（InChI descriptor）[cheminf_000113]：InChI=1S/C45H52Si4/c1-46(2,3)33-29-37-13-21-41(22-14-37)45(42-23-15-38(16-24-42)30-34-47(4,5)6,43-25-17-39(18-26-43)31-35-48(7,8)9)44-27-19-40(20-28-44)32-36-49(10,11)12/h13-28H,1-12H3；规范SMILES描述符（canonical SMILES descriptor）[cheminf_000007]：C[Si](C#Cc1ccc(cc1)C(c1ccc(cc1)C#C[Si](C)(C)C)(c1ccc(cc1)C#C[Si](C)(C)C)c1ccc(cc1)C#C[Si](C)(C)C)(C)C；以及IUPAC名称（IUPAC name）[cheminf_000107]：trimethyl-[2-[4-[tris[4-(2-trimethylsilylethynyl)phenyl]methyl]phenyl]ethynyl]silane。该物理化学实体[CHEBI_24431]含有一个组分溶剂（component solvent）[CHEBI_46787]，其通过规范SMILES描述符[cheminf_000007]描述：该物理化学实体[CHEBI_24431]在研究数据仓库chemotion（www.chemotion-repository.net，https://doi.org/10.25504/FAIRsharing.iagXcR）中注册的样本ID如下：CRS-32980。该物理化学实体[CHEBI_24431]可通过以下物理描述符（physical descriptors）[CHEMINF_000025]进行描述：熔点描述符[CHEMINF_000256]：319.0（°C）；沸点描述符[CHEMINF_000257]：；折射率描述符[CHEMINF_000253]：。该物理化学实体[CHEBI_24431]还可通过以下分析方法（assays）[OBI:0000070][CHMO:0001133]进一步描述：CHMO:0000593 | 氢核磁共振波谱法（1H nuclear magnetic resonance spectroscopy，1H NMR）；CHMO:0000595 | 碳-13核磁共振波谱法（13C nuclear magnetic resonance spectroscopy，13C NMR）；CHMO:0000604 | 异核单量子相干谱（heteronuclear single quantum coherence，HSQC）；CHMO:0000601 | 异核多键相干谱（heteronuclear multiple bond coherence，HMBC）；CHMO:0000630 | 红外吸收光谱法（infrared absorption spectroscopy，IR）；CHMO:0000498 | 高分辨质谱法（high-resolution mass spectrometry，HRMS）；CHMO:0000563 | 快原子轰击质谱法（fast-atom bombardment mass spectrometry，FABMS）。该物理化学实体[CHEBI_24431]已存于卡尔斯鲁厄理工学院（Karlsruhe Insitute of Technology，KIT）分子档案库，其样本ID如下：使用的本体：CHEBI - 生物感兴趣的化学实体（Chemical Entities of Biological Interest）；CHEMINF - 化学信息本体（chemical information ontology，即关于化学实体的信息实体）；CHMO - 化学方法本体（Chemical Methods Ontology）；OBI - 生物医学研究本体（Ontology for Biomedical Investigations）。