9,10-Bis(phenylethynyl)anthracene - ≥97% , CAS No.10075-85-1

CAS: 10075-85-1 Cat. No.: B107844 Molecular Weight: 378.46 Beilstein Registry Number: 5(4)2905 EC Number: 233-210-8

GRADE & PURITY ≥97%

Synonyms

MK-801 (Dizocilpine) | N 0923 | AMY22869 | FT-0621585 | A800270 | Anthracene, 9,10-bis(2-phenylethynyl)- | P1137 | J-650369 | 9,10-Bis-phenylethynyl-anthracene | 9,10-Bis(phenylvinyl)anthracene | UNII-FC8JDB70DQ | W-108941 | DTXSID3064936 | MFCD00012050 |

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Synonyms

MK-801 (Dizocilpine) | N 0923 | AMY22869 | FT-0621585 | A800270 | Anthracene, 9, 10-bis(2-phenylethynyl)- | P1137 | J-650369 | 9, 10-Bis-phenylethynyl-anthracene | 9, 10-Bis(phenylvinyl)anthracene | UNII-FC8JDB70DQ | W-108941 | DTXSID3064936 | MFCD00012050 |

Specifications & Purity

≥97%

Storage

Protected from light, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488186087
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186087
• Canonical Smiles: C1=CC=C(C=C1)C#CC2=C3C=CC=CC3=C(C4=CC=CC=C42)C#CC5=CC=CC=C5
• IUPAC Name: 9,10-bis(2-phenylethynyl)anthracene
• InChIKey: ZHBOFZNNPZNWGB-UHFFFAOYSA-N
• INCHI: 1S/C30H18/c1-3-11-23(12-4-1)19-21-29-25-15-7-9-17-27(25)30(28-18-10-8-16-26(28)29)22-20-24-13-5-2-6-14-24/h1-18H
• Isomeric SMILES: C1=CC=C(C=C1)C#CC2=C3C=CC=CC3=C(C4=CC=CC=C42)C#CC5=CC=CC=C5
• WGK Germany: 3
• Molecular Weight: 378.46
• Beilstein: 5(4)2905
• Reaxy-Rn: 1891432
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1891432&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Anthracenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Anthracenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Anthracenes
• Alternative Parents: Benzene and substituted derivatives Aromatic hydrocarbons Polycyclic hydrocarbons Acetylenes
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Anthracene - Monocyclic benzene moiety - Aromatic hydrocarbon - Polycyclic hydrocarbon - Unsaturated hydrocarbon - Acetylene - Hydrocarbon - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as anthracenes. These are organic compounds containing a system of three linearly fused benzene rings.
• External Descriptors: anthracenes - arylacetylene

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

Chemical and Physical Properties

• Solubility: It is insoluble in water but is soluble in most organic solvents such as carbon disulfide, alcohols, benzene, chloroform, and hydronaphthalenes.
• Sensitivity: Light Sensitive;Heat sensitive
• Melt Point(°C): 248-250°C
• Molecular Weight: 378.500 g/mol
• XLogP3: 8.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 378.141 Da
• Monoisotopic Mass: 378.141 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 605.000
• 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

References

1. Pengchong Wang, Yan Yan, Ying Zhang, Tingting Gao, Hongrui Ji, Shiyan Guo, Ke Wang, Jianfeng Xing, Yalin Dong.  (2021)  An Improved Synthesis of Water-Soluble Dual Fluorescence Emission Carbon Dots from Holly Leaves for Accurate Detection of Mercury Ions in Living Cells.  International Journal of Nanomedicine,      [PMID:33731993] [10.2147/IJN.S298152]

2. Yaxiong Wei, Min Zheng, Lin Chen, Xiaoguo Zhou, Shilin Liu.  (2019)  Near-infrared to violet triplet–triplet annihilation fluorescence upconversion of Os(II) complexes by strong spin-forbidden transition.  DALTON TRANSACTIONS,  48  (31): (11763-11771).  [PMID:31298244] [10.1039/C9DT02276G]

3. Aisen Li, Jing Wang, Shuping Xu, Zepeng Huo, Yijia Geng, Weiqing Xu, Haining Cui.  (2019)  Distinct stimuli-responsive behavior for two polymorphs of 9,10-bis(phenylethynyl)anthracene under pressure based on intermolecular interactions.  DYES AND PIGMENTS,      [PMID:] [10.1016/j.dyepig.2019.107603]

4. Wei Zheng, Lingyan Xu, Yingming Wang, Chongqi Liu, Lu Liang, Zhentao Qin, Lixiang Lian, Yanyan Lei, Qinzeng Hu, Wanqi Jie.  (2025)  High-performance direct detection of α-particle and X-ray with centimeter-sized organic BPEA single crystals.  JOURNAL OF ALLOYS AND COMPOUNDS,      [PMID:] [10.1016/j.jallcom.2025.179490]

5. Luo Zhi-Wang, Ji Honghan, Jin Xue, Song Jun, Yu Zhen-Qiang, Duan Pengfei, Zhao Tonghan.  (2025)  Mechanically steered photon upconversion and circularly polarized luminescence in stretchable photonic crystal films.  Nature Communications,  16  (1): (9960).  [PMID:41224778] [10.1038/s41467-025-64953-3]