51521-29-0 ((pyrido3,4-gisoquinoline)

快速询单

结构式：

pyrido3,4-gisoquinolineMOL文件

CAS号：

51521-29-0

英文名称：

pyrido3,4-gisoquinoline

分子式：

C₁₂H₈N₂

分子量：

180.205322265625

pyrido3,4-gisoquinoline(51521-29-0)名称与标识符

名称

英文别名：

Pyrido[3,4-g]isoquinoline;pyrido3,4-gisoquinoline;51521-29-0;DTXSID50517017;SCHEMBL4036768;2,6-diazaanthracene;AKOS006372478;EN300-8588796;CXKVSEWPNCOXRI-UHFFFAOYSA-N;pyrido[3,4-g]isochinolin;

标识符

MDL：

MFCD18448558

InChIKey：

CXKVSEWPNCOXRI-UHFFFAOYSA-N

Inchi：

1S/C12H8N2/c1-3-13-7-11-6-10-2-4-14-8-12(10)5-9(1)11/h1-8H

SMILES：

N1C=CC2C=C3C=NC=CC3=CC=2C=1

pyrido3,4-gisoquinoline(51521-29-0)物化性质

实验特性

PSA : 25.78

计算特性

精确分子量 : 180.06884
氢键供体数量 : 0
氢键受体数量 : 2
可旋转化学键数量 : 0
同位素质量 : 180.068748264g/mol
重原子数量 : 14
复杂度 : 183
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 2.3
拓扑分子极性表面积 : 25.8Å²

pyrido3,4-gisoquinoline(51521-29-0)相关文献

1. A dispersion-corrected DFT study on adsorption of battery active materials anthraquinone and its derivatives on monolayer graphene and h-BN
Yang-Xin Yu J. Mater. Chem. A 2014 2 8910
2. Organic quinones towards advanced electrochemical energy storage: recent advances and challenges
Cuiping Han,Hongfei Li,Ruiying Shi,Tengfei Zhang,Jing Tong,Junqin Li,Baohua Li J. Mater. Chem. A 2019 7 23378
3. Organic small molecules and polymers as an electrode material for rechargeable lithium ion batteries
Manik E. Bhosale,Sudong Chae,Ji Man Kim,Jae-Young Choi J. Mater. Chem. A 2018 6 19885
4. Recent progress in rechargeable lithium batteries with organic materials as promising electrodes
Jian Xie,Qichun Zhang J. Mater. Chem. A 2016 4 7091
5. Power from nature: designing green battery materials from electroactive quinone derivatives and organic polymers
Mikhail Miroshnikov,Kizhmuri P. Divya,Ganguli Babu,Ashokkumar Meiyazhagan,Leela Mohana Reddy Arava,Pulickel M. Ajayan,George John J. Mater. Chem. A 2016 4 12370
6. Controlling magnetic communication through aromatic bridges by variation in torsion angle
Thomas B. Faust,Floriana Tuna,Grigore A. Timco,Marco Affronte,Valerio Bellini,Wolfgang Wernsdorfer,Richard E. P. Winpenny Dalton Trans. 2012 41 13626
7. Computational electrochemistry study of derivatives of anthraquinone and phenanthraquinone analogues: the substitution effect
Zhen Wang,Anyang Li,Lei Gou,Jingzheng Ren,Gaohong Zhai RSC Adv. 2016 6 89827
8. A density functional theory study on the thermodynamic and dynamic properties of anthraquinone analogue cathode materials for rechargeable lithium ion batteries
Shu-Jing Yang,Xiao-Ya Qin,Rongxing He,Wei Shen,Ming Li,Liu-Bin Zhao Phys. Chem. Chem. Phys. 2017 19 12480
9. Chapter 8. Heterocyclic compounds
D. E. Ames Annu. Rep. Prog. Chem. Sect. B: Org. Chem. 1988 85 191

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