4,5-diphenylbenzene-1,2-diamine

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/C18H16N2/c19-17-11-15(13-7-3-1-4-8-13)16(12-18(17)20)14-9-5-2-6-10-14/h1-12H,19-20H2, and canonical SMILES descriptor[cheminf_000007]: Nc1cc(c2ccccc2)c(cc1N)c1ccccc1, and by the IUPAC name[cheminf_000107]: 4,5-diphenylbenzene-1,2-diamine.

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-27951

The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
Melting point descriptor[CHEMINF_000256]: 137.7 - 141.8 (°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:0000470 | mass spectrometry (MS)

CHMO:0000630 | infrared absorption spectroscopy (IR)

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)

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/C18H16N2/c19-17-11-15(13-7-3-1-4-8-13)16(12-18(17)20)14-9-5-2-6-10-14/h1-12H,19-20H2,
以及规范SMILES描述符[cheminf_000007]：Nc1cc(c2ccccc2)c(cc1N)c1ccccc1，
以及IUPAC名称[cheminf_000107]：4,5-二苯基苯-1,2-二胺。

该物理化学实体[CHEBI_24431]含有一种成分溶剂[CHEBI_46787]，其可通过规范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为：CRS-27951

该物理化学实体[CHEBI_24431]可通过物理描述符[CHEMINF_000025]描述：
熔点描述符[CHEMINF_000256]：137.7 - 141.8（℃）
沸点描述符[CHEMINF_000257]：
折射率描述符[CHEMINF_000253]：

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

CHMO:0000470 | 质谱法（MS）
CHMO:0000630 | 红外吸收光谱法（IR）
CHMO:0000593 | 1H核磁共振光谱法（1H NMR）
CHMO:0000595 | 13C核磁共振光谱法（13C NMR）
CHMO:0001146 | 1H-13C异核单量子相干（1H-13C HSQC）

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

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