12,12'-(2,3,5,6-tetramethyl-1,4-phenylene)bis(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/C108H84N10/c1-61-62(2)98(66-54-88-104(110-60-66)114-102-74-52-48-70(118-95-43-27-19-35-85(95)108(11,12)86-36-20-28-44-96(86)118)58-78(74)76-56-68(46-50-72(76)100(102)112-88)116-91-39-23-15-31-81(91)106(7,8)82-32-16-24-40-92(82)116)64(4)63(3)97(61)65-53-87-103(109-59-65)113-101-73-51-47-69(117-93-41-25-17-33-83(93)107(9,10)84-34-18-26-42-94(84)117)57-77(73)75-55-67(45-49-71(75)99(101)111-87)115-89-37-21-13-29-79(89)105(5,6)80-30-14-22-38-90(80)115/h13-60H,1-12H3, and canonical SMILES descriptor[cheminf_000007]: Cc1c(C)c(c2cnc3c(c2)nc2c(n3)c3ccc(cc3c3c2ccc(c3)N2c3ccccc3C(c3c2cccc3)(C)C)N2c3ccccc3C(c3c2cccc3)(C)C)c(c(c1c1cnc2c(c1)nc1c(n2)c2ccc(cc2c2c1ccc(c2)N1c2ccccc2C(c2c1cccc2)(C)C)N1c2ccccc2C(c2c1cccc2)(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-45930

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

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

CHMO:0000630 | infrared absorption spectroscopy (IR)

CHMO:0000599 | correlation spectroscopy (COSY)

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

本条目为一个与分子（molecule[CHEBI_25367]）相关联的物理化学实体（physical chemical entity[CHEBI_24431]）。
该分子（molecule[CHEBI_25367]）可通过以下结构描述符（structural descriptors[cheminf_000085]）进行表征：
InChI描述符（InChI descriptor[cheminf_000113]）：InChI=1S/C108H84N10/c1-61-62(2)98(66-54-88-104(110-60-66)114-102-74-52-48-70(118-95-43-27-19-35-85(95)108(11,12)86-36-20-28-44-96(86)118)58-78(74)76-56-68(46-50-72(76)100(102)112-88)116-91-39-23-15-31-81(91)106(7,8)82-32-16-24-40-92(82)116)64(4)63(3)97(61)65-53-87-103(109-59-65)113-101-73-51-47-69(117-93-41-25-17-33-83(93)107(9,10)84-34-18-26-42-94(84)117)57-77(73)75-55-67(45-49-71(75)99(101)111-87)115-89-37-21-13-29-79(89)105(5,6)80-30-14-22-38-90(80)115/h13-60H,1-12H3,
以及规范SMILES描述符（canonical SMILES descriptor[cheminf_000007]）：Cc1c(C)c(c2cnc3c(c2)nc2c(n3)c3ccc(cc3c3c2ccc(c3)N2c3ccccc3C(c3c2cccc3)(C)C)N2c3ccccc3C(c3c2cccc3)(C)C)c(c(c1c1cnc2c(c1)nc1c(n2)c2ccc(cc2c2c1ccc(c2)N1c2ccccc2C(c2c1cccc2)(C)C)N1c2ccccc2C(c2c1cccc2)(C)C)C)C,
同时可通过IUPAC名称（IUPAC name[cheminf_000107]）进行表征：.
该物理化学实体（physical chemical entity[CHEBI_24431]）包含组分溶剂（component solvent[CHEBI_46787]），其可通过规范SMILES描述符（canonical SMILES descriptor[cheminf_000007]）表征：
该物理化学实体（physical chemical entity[CHEBI_24431]）在研究数据仓储chemotion（网址：www.chemotion-repository.net，DOI：https://doi.org/10.25504/FAIRsharing.iagXcR）中登记的样本ID（Sample ID）为：CRS-45930
该物理化学实体（physical chemical entity[CHEBI_24431]）可通过以下物理描述符（physical descriptors[CHEMINF_000025]）表征：
熔点描述符（Melting point descriptor[CHEMINF_000256]）：
沸点描述符（Boiling point descriptor[CHEMINF_000257]）：
折射率描述符（Refractive index descriptor[CHEMINF_000253]）：
该物理化学实体（physical chemical entity[CHEBI_24431]）还可通过以下测定实验（assays[OBI:0000070][CHMO:0001133]）表征：
CHMO:0002337 | 电喷雾电离四极杆检测（electrospray ionisation quadrupole detection, ESI Q Trap）
CHMO:0000593 | 1H核磁共振波谱法（1H nuclear magnetic resonance spectroscopy, ¹H NMR）
CHMO:0000630 | 红外吸收光谱法（infrared absorption spectroscopy, IR）
CHMO:0000599 | 相关光谱法（correlation spectroscopy, COSY）
CHMO:0000292 | 紫外-可见分光光度法（ultraviolet-visible spectrophotometry, UV-VIS）
该物理化学实体（physical chemical entity[CHEBI_24431]）已被存入卡尔斯鲁厄理工学院（Karlsruhe Institute of Technology, KIT）的分子档案库（Molecule Archive），其登记的样本ID为：
所用本体：
CHEBI - 化学生物兴趣本体（Chemical Entities of Biological Interest）
CHEMINF - 化学信息本体（chemical information ontology，即用于描述化学实体的信息实体）
CHMO - 化学方法本体（Chemical Methods Ontology）
OBI - 生物医学调查本体（Ontology for Biomedical Investigations）