5-[2-[5-[2-[5-[2-(4,5-dithiophen-2-ylthiophen-2-yl)ethynyl]thiophen-2-yl]thiophen-3-yl]thiophen-2-yl]ethynyl]-2,3-dithiophen-2-ylthiophene

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/C40H20S9/c1-5-32(41-18-1)30-23-27(48-39(30)35-7-3-20-43-35)11-9-25-13-15-34(46-25)29-17-22-45-38(29)37-16-14-26(47-37)10-12-28-24-31(33-6-2-19-42-33)40(49-28)36-8-4-21-44-36/h1-8,13-24H, and canonical SMILES descriptor[cheminf_000007]: c1sc(c(c1)c1ccc(s1)C#Cc1sc(c(c1)c1cccs1)c1cccs1)c1ccc(s1)C#Cc1sc(c(c1)c1cccs1)c1cccs1, and by the IUPAC name[cheminf_000107]: 5-[2-[5-[2-[5-[2-(4,5-dithiophen-2-ylthiophen-2-yl)ethynyl]thiophen-2-yl]thiophen-3-yl]thiophen-2-yl]ethynyl]-2,3-dithiophen-2-ylthiophene.

The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]:

CC(O)=O

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-59116

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)

CHMO:0001150 | 1H--1H correlation spectroscopy (1H-1H COSY)

CHMO:0001148 | 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)

CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)

CHMO:0001146 | 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C 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

本实体为与某分子[CHEBI_25367]相关联的物理化学实体（physical chemical entity）[CHEBI_24431]。
该分子[CHEBI_25367]可通过以下结构描述符[cheminf_000085]进行表征：
其中，国际化学标识符（InChI）描述符[cheminf_000113]为：InChI=1S/C40H20S9/c1-5-32(41-18-1)30-23-27(48-39(30)35-7-3-20-43-35)11-9-25-13-15-34(46-25)29-17-22-45-38(29)37-16-14-26(47-37)10-12-28-24-31(33-6-2-19-42-33)40(49-28)36-8-4-21-44-36/h1-8,13-24H；标准SMILES描述符[cheminf_000007]为：c1sc(c(c1)c1ccc(s1)C#Cc1sc(c(c1)c1cccs1)c1cccs1)c1ccc(s1)C#Cc1sc(c(c1)c1cccs1)c1cccs1；其IUPAC命名（IUPAC name）[cheminf_000107]为：5-[2-[5-[2-[5-[2-(4,5-二噻吩-2-基噻吩-2-基)乙炔基]噻吩-2-基]噻吩-3-基]噻吩-2-基]乙炔基]-2,3-二噻吩-2-基噻吩。

该物理化学实体[CHEBI_24431]包含一种组分溶剂（component solvent）[CHEBI_46787]，其标准SMILES描述符[cheminf_000007]为：CC(O)=O

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）中注册的样本编号（Sample ID）为：CRS-59116

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]：；沸点描述符[CHEMINF_000257]：；折射率描述符[CHEMINF_000253]：

该物理化学实体[CHEBI_24431]还可通过以下检测实验[OBI:0000070][CHMO:0001133]进行表征：
CHMO:0000593 | 1H核磁共振波谱法（1H NMR）
CHMO:0001150 | 1H-1H相关光谱法（1H-1H COSY）
CHMO:0001148 | 1H-13C异核多键相关光谱法（13C-1H HMBC）
CHMO:0000596 | 无畸变极化转移增强技术（DEPT）
CHMO:0000596 | 无畸变极化转移增强技术（DEPT）
CHMO:0001146 | 1H-13C异核单量子相干光谱法（1H-13C HSQC）
CHMO:0000595 | 13C核磁共振波谱法（13C NMR）

该物理化学实体[CHEBI_24431]已被存入卡尔斯鲁厄理工学院（KIT）的分子档案库，其样本编号为：

所用本体（ontology）包括：
CHEBI - 生物感兴趣化学实体（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 - 生物调查本体（Ontology for Biomedical Investigations）