12-bromo-3,6-bis(9,9-dimethylacridin-10(9H)-yl)dibenzo[f,h]pyrido[2,3-b]quinoxaline

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/C49H36BrN5/c1-48(2)36-13-5-9-17-41(36)54(42-18-10-6-14-37(42)48)30-21-23-32-34(26-30)35-27-31(22-24-33(35)46-45(32)52-40-25-29(50)28-51-47(40)53-46)55-43-19-11-7-15-38(43)49(3,4)39-16-8-12-20-44(39)55/h5-28H,1-4H3, and canonical SMILES descriptor[cheminf_000007]: Brc1cnc2c(c1)nc1c(n2)c2ccc(cc2c2c1ccc(c2)N1c2ccccc2C(c2c1cccc2)(C)C)N1c2ccccc2C(c2c1cccc2)(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-45670

The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
Melting point descriptor[CHEMINF_000256]: 338.0 (°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:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)

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

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

CHMO:0000599 | correlation spectroscopy (COSY)

CHMO:0000604 | heteronuclear single quantum coherence (HSQC)

CHMO:0000601 | heteronuclear multiple bond coherence (HMBC)

CHMO:0000630 | infrared absorption spectroscopy (IR)

CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)

CHMO:0002337 | electrospray ionisation quadrupole detection (ESI Q Trap)

CHMO:0000292 | ultraviolet-visible spectrophotometry (UV-VIS)

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：
InChI描述符[cheminf_000113]：InChI=1S/C49H36BrN5/c1-48(2)36-13-5-9-17-41(36)54(42-18-10-6-14-37(42)48)30-21-23-32-34(26-30)35-27-31(22-24-33(35)46-45(32)52-40-25-29(50)28-51-47(40)53-46)55-43-19-11-7-15-38(43)49(3,4)39-16-8-12-20-44(39)55/h5-28H,1-4H3；标准SMILES描述符[cheminf_000007]：Brc1cnc2c(c1)nc1c(n2)c2ccc(cc2c2c1ccc(c2)N1c2ccccc2C(c2c1cccc2)(C)C)N1c2ccccc2C(c2c1cccc2)(C)C；以及IUPAC命名[cheminf_000107]：（原文未提供具体命名）。
该物理化学实体[CHEBI_24431]包含组分溶剂[CHEBI_46787]，其可通过标准SMILES描述符[cheminf_000007]表征：（原文未提供具体SMILES字符串）。
该物理化学实体[CHEBI_24431]在研究数据仓储chemotion（www.chemotion-repository.net，https://doi.org/10.25504/FAIRsharing.iagXcR）中注册的样本编号为：CRS-45670。
该物理化学实体[CHEBI_24431]可通过以下物理描述符[CHEMINF_000025]进行表征：
熔点描述符[CHEMINF_000256]：338.0 ℃；
沸点描述符[CHEMINF_000257]：（无数据）；
折光率描述符[CHEMINF_000253]：（无数据）。
该物理化学实体[CHEBI_24431]还可通过以下分析测试方法[OBI:0000070][CHMO:0001133]进行表征：
CHMO:0000595 | 碳-13核磁共振波谱法（13C NMR）
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:0000599 | 相关光谱法（COSY）
CHMO:0000604 | 异核单量子相干谱（HSQC）
CHMO:0000601 | 异核多键相干谱（HMBC）
CHMO:0000630 | 红外吸收光谱法（IR）
CHMO:0000593 | 氢-1核磁共振波谱法（1H NMR）
CHMO:0002337 | 电喷雾电离四极杆检测法（ESI Q Trap）
CHMO:0000292 | 紫外-可见分光光度法（UV-VIS）
该物理化学实体[CHEBI_24431]已被存入卡尔斯鲁厄理工学院（KIT）分子档案库，其样本编号为：（原文未提供完整内容）。
所用本体：
CHEBI - 生物感兴趣化学实体（Chemical Entities of Biological Interest）
CHEMINF - 化学信息本体（针对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）