Bathophenanthroline - ≥99% , CAS No.1662-01-7

CAS: 1662-01-7 Cat. No.: D113483 Peso molecular: 332.4 Beilstein Registry Number: 261048 Número EC: 216-767-1

GRADE & PURITY ≥99%

Synonyms

Bathophenanthrolin [German] | NCI60_012508 | NSC637659 | NSC-637659 | DTXSID7061857 | 4,7-diphenyl-phenanthroline | Disofen | GNF-Pf-4554 | 4A2B091F0G | F16258 | STL557554 | 4,7-Diphenyl-1,10-phenanthroline, 98.5% | B-0400 | BIDD:GT0407 | EINECS 216-767-1

Storage

Room temperature

Shipped In

Normal

Descripción general

This is used as a bidentate ligand and for determination of iron.

Specifications

Sinónimos

Bathophenanthrolin [German] | NCI60_012508 | NSC637659 | NSC-637659 | DTXSID7061857 | 4, 7-diphenyl-phenanthroline | Disofen | GNF-Pf-4554 | 4A2B091F0G | F16258 | STL557554 | 4, 7-Diphenyl-1, 10-phenanthroline, 98.5% | B-0400 | BIDD:GT0407 | EINECS 216-767-1

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 488184716
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184716
• Sonrisas canónicas: C1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5
• IUPAC Name: 4,7-diphenyl-1,10-phenanthroline
• InChIKey: DHDHJYNTEFLIHY-UHFFFAOYSA-N
• INCHI: 1S/C24H16N2/c1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18/h1-16H
• Isómeros SMILES: C1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5
• WGK Alemania: 3
• RTECS: SF8427000
• Peso molecular: 332.4
• Beilstein: 261048
• Reaxy-Rn: 261048
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=261048&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Quinolines and derivatives
      • Subclass Phenylquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Quinolines and derivatives
• Subclass: Phenylquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylquinolines
• Alternative Parents: Phenanthrolines Phenylpyridines Benzene and substituted derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylquinoline - 1,10-phenanthroline - 4-phenylpyridine - Benzenoid - Pyridine - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylquinolines. These are heterocyclic compounds containing a quinoline moiety substituted with a phenyl group.
• External Descriptors: a small molecule

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in organic solvents. Slightly soluble in acidic aqueous solutions. Insoluble in neutral or alkaline solutions.
• Sensibilidad: Light sensitive
• Punto de fusión (°C): 218-220 °C (lit.)
• Peso molecular: 332.400 g/mol
• XLogP3: 5.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 332.131 Da
• Monoisotopic Mass: 332.131 Da
• Topological Polar Surface Area: 25.800 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 409.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referencias

1. Yichuan Chen, Wenlong Li, Yan Yang, Ruitong Zhong, Huiyan Hu, Chunxia Huang, Jing Chen, Lijuan Liang, Yunjun Liu.  (2023)  Significant increase of anticancer efficacy in vitro and in vivo of liposome entrapped ruthenium(II) polypyridyl complexes.  EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY,      [PMID:37295162] [10.1016/j.ejmech.2023.115541]

2. Haisu Wu, Tifang Miao, Qinghua Deng, Li Qian, Haixia Shi, Yun Xu, Xianliang Fu.  (2022)  Unraveling Electron Structure and Reaction Mechanisms of Functionalized Nickel-Based Complexes for Efficient Hydrogen Evolution.  Journal of Physical Chemistry C,      [PMID:] [10.1021/acs.jpcc.1c09956]

3. Yanxin Zhang, Kehan Zhang, Zhenyan Bao, Jianan Hao, Xiaoyun Ma, Chengguo Jia, Mingyuan Liu, Dongsheng Wei, Shengxiang Yang, Jianchun Qin.  (2024)  A Novel Preservative Film with a Pleated Surface Structure and Dual Bioactivity Properties for Application in Strawberry Preservation due to Its Efficient Apoptosis of Pathogenic Fungal Cells.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:39078084] [10.1021/acs.jafc.4c04579]

4. Dongbo Chen, Yu-e Shi, Song Shen, Song Liu, Dongpeng Yan, Zhenguang Wang.  (2025)  Achieving High-Temperature Resistant Afterglow by Modulating Dual-Mode Emission of Organic Emitters through Defects Engineering.  Small,      [PMID:40018796] [10.1002/smll.202409689]

5. Gong Cheng, Li Haiyun, Wang Huaxin, Zhang Cong, Zhuang Qixin, Wang Awen, Xu Zhiyuan, Cai Wensi, Li Ru, Li Xiong, Zang Zhigang.  (2024)  Silver coordination-induced n-doping of PCBM for stable and efficient inverted perovskite solar cells.  Nature Communications,  15  (1): (1-10).  [PMID:38858434] [10.1038/s41467-024-49395-7]

6. Wei Wu, Jiaen Huang, Yuling Li, Jiaxi Chen, Xiaowei Kuang, Manzhen Ye, Rui Chen, Junli An, Zunnan Huang, Jing Sun.  (2025)  Endoplasmic Reticulum-Targeting Iridium(III) Complexes Induce Pyroptosis and Enhance Immunogenic Cell Death in MDA-MB-231 Cells.  JOURNAL OF MEDICINAL CHEMISTRY,      [PMID:40639936] [10.1021/acs.jmedchem.5c00883]

7. Chenglong Ji, Jing Ma, Henggang Wang, Song Liu, Yu-e Shi, Peng Zhang, Zhenguang Wang.  (2025)  Efficient Visible Light Activated Afterglow Through Stabilizing Excited Dimers Via a Melt-Injection Reaction for Multiple Applications.  Advanced Optical Materials,      [PMID:] [10.1002/adom.202502328]

8. Yongshuang Li, Jifei Liu, Chuanfeng Li, Bing Xu, Yifei Long, Cheng Pan, Guozhi Fan.  (2026)  Preparation and properties of modified holocellulose-reinforced poly(propylene carbonate)/poly(butylene adipate-co-terephthalate) composites.  Environmental Progress & Sustainable Energy,      [PMID:] [10.1002/ep.70379]