3,6-di-tert-butyl-9-(2,6-dimethylphenyl)-9H-carbazole

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/C28H33N/c1-18-10-9-11-19(2)26(18)29-24-14-12-20(27(3,4)5)16-22(24)23-17-21(28(6,7)8)13-15-25(23)29/h9-17H,1-8H3, and canonical SMILES descriptor[cheminf_000007]: Cc1cccc(c1n1c2ccc(cc2c2c1ccc(c2)C(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-27655

The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
Melting point descriptor[CHEMINF_000256]: 57.4 - 66.0 (°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

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[cheminf_000085]进行描述：
InChI描述符[cheminf_000113]：InChI=1S/C28H33N/c1-18-10-9-11-19(2)26(18)29-24-14-12-20(27(3,4)5)16-22(24)23-17-21(28(6,7)8)13-15-25(23)29/h9-17H,1-8H3；规范SMILES描述符[cheminf_000007]：Cc1cccc(c1n1c2ccc(cc2c2c1ccc(c2)C(C)(C)C)C(C)(C)C)C；以及IUPAC名称[cheminf_000107]：

该物理化学实体[CHEBI_24431]包含一个组分溶剂[CHEBI_46787]，其规范SMILES描述符[cheminf_000007]为：

该物理化学实体[CHEBI_24431]在研究数据仓库chemotion（网址：www.chemotion-repository.net，DOI：https://doi.org/10.25504/FAIRsharing.iagXcR）中注册的样本ID为：CRS-27655

该物理化学实体[CHEBI_24431]可通过以下物理描述符[CHEMINF_000025]进行描述：
熔点描述符[CHEMINF_000256]：57.4 - 66.0（℃）
沸点描述符[CHEMINF_000257]：
折射率描述符[CHEMINF_000253]：

该物理化学实体[CHEBI_24431]可通过以下实验分析方法[OBI:0000070][CHMO:0001133]进一步描述：

CHMO:0000593 | 氢核磁共振波谱法（¹H NMR）

CHMO:0000595 | 碳核磁共振波谱法（¹³C NMR）

CHMO:0001146 | 氢-碳异核单量子相干谱（¹H-¹³C HSQC）

CHMO:0000470 | 质谱法（MS）

CHMO:0000630 | 红外吸收光谱法（IR）

该物理化学实体[CHEBI_24431]已存入卡尔斯鲁厄理工学院（KIT）的分子档案库，其样本ID为：

使用的本体：
CHEBI - 生物感兴趣的化学实体本体
CHEMINF - 化学信息本体（关于化学实体的信息实体）
CHMO - 化学方法本体
OBI - 生物医学研究本体