1,3,5-Tris(1-phenyl-1H-benzimidazol-2-yl)benzene - ≥98% , CAS No.192198-85-9

CAS: 192198-85-9 Cat. No.: T401773 Peso molecular: 654.76 Número EC: 848-939-2 PubChem CID: 21932919

GRADE & PURITY ≥98%

Synonyms

192198-85-9|1,3,5-Tris(1-phenyl-1H-benzo[d]imidazol-2-yl)benzene|TPBI|1,3,5-TRIS(1-PHENYL-1H-BENZIMIDAZOL-2-YL)BENZENE|1,3,5-tris(n-phenylbenzimidazol-2-yl)benzene|2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole|1H-Benzimidazole, 2,2',2

Storage

Room temperature

Shipped In

Normal

Descripción general

Used in OLED′s devices as electron transport and exciton blocking materials.

Specifications

Sinónimos

192198-85-9 | 1, 3, 5-Tris(1-phenyl-1H-benzo[d]imidazol-2-yl)benzene | TPBI | 1, 3, 5-TRIS(1-PHENYL-1H-BENZIMIDAZOL-2-YL)BENZENE | 1, 3, 5-tris(n-phenylbenzimidazol-2-yl)benzene | 2-[3, 5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole | 1H-Benzimidazole, 2, 2', 2

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488199984
• Sonrisas canónicas: C1=CC=C(C=C1)N2C3=CC=CC=C3N=C2C4=CC(=CC(=C4)C5=NC6=CC=CC=C6N5C7=CC=CC=C7)C8=NC9=CC=CC=C9N8C1=CC=CC=C1
• IUPAC Name: 2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole
• InChIKey: GEQBRULPNIVQPP-UHFFFAOYSA-N
• INCHI: 1S/C45H30N6/c1-4-16-34(17-5-1)49-40-25-13-10-22-37(40)46-43(49)31-28-32(44-47-38-23-11-14-26-41(38)50(44)35-18-6-2-7-19-35)30-33(29-31)45-48-39-24-12-15-27-42(39)51(45)36-20-8-3-9-21-36/h1-30H
• Isómeros SMILES: C1=CC=C(C=C1)N2C3=CC=CC=C3N=C2C4=CC(=CC(=C4)C5=NC6=CC=CC=C6N5C7=CC=CC=C7)C8=NC9=CC=CC=C9N8C1=CC=CC=C1
• PubChem CID: 21932919
• Peso molecular: 654.76

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzimidazoles
      • Subclass Phenylbenzimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzimidazoles
• Subclass: Phenylbenzimidazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylbenzimidazoles
• Alternative Parents: Phenylimidazoles N-substituted imidazoles Benzene and substituted derivatives Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylbenzimidazole - 1-phenylimidazole - 2-phenylimidazole - Benzenoid - N-substituted imidazole - Monocyclic benzene moiety - Heteroaromatic compound - Imidazole - Azole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylbenzimidazoles. These are compounds containing a phenylbenzimidazole skeleton, which consists of a benzimidazole moiety where its imidazole ring is attached to a phenyl group.
• External Descriptors: Not available

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

Propiedades químicas y físicas

• Sensibilidad: light sensitive
• Punto de fusión (°C): 272-277°C
• Peso molecular: 654.800 g/mol
• XLogP3: 10.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 654.253 Da
• Monoisotopic Mass: 654.253 Da
• Topological Polar Surface Area: 53.500 Ų
• Heavy Atom Count: 51
• Formal Charge: 0
• Complexity: 980.000
• 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. Hongyu Lv, Xin Tang, Menglu Chen.  (2023)  Ionic Doping of CsPbI3 Perovskite Nanocrystals Improves Luminescence and Stability in Patterned Large-Area Light-Emitting Diodes.  ACS Applied Nano Materials,      [PMID:] [10.1021/acsanm.3c03358]

2. Man Li, Xin Li, Ying-Feng Han.  (2025)  Achieving a Record Photoluminescence Quantum Yield in Green Light-Emitting Carbon-Centered Radicals with Nanosecond Emission Lifetimes.  ADVANCED MATERIALS,      [PMID:40109129] [10.1002/adma.202418324]

3. Jiaxin Sun, Wenjie Xu, Yixiang Liu, Bin Sun, Jie Xiong, Yongfu Lian, Yanhui Lou, Lai Feng.  (2024)  Precursor engineering towards orange- and red-emissive carbon dots for LEDs with tunable emission colors.  Nanoscale,      [PMID:39620651] [10.1039/D4NR03184A]

4. Yangyang Cai, Siyu Yan, Yue-jian Lin, Tingting Lin, Longzhen Qiu, Xiaoyong Pan, Weizhi Wang.  (2025)  Quantum Wells in Magnesium–Manganese Bimetallic Antiperovskites for High Luminescence.  ACS Applied Materials & Interfaces,      [PMID:40062984] [10.1021/acsami.4c18047]

5. Qinglin Zeng, Jibin Zhang, Xinzhen Ji, Meng Wang, Shuailing Lin, Meng Su, Qianli Liu, Linyuan Lian, Mochen Jia, Xu Chen, Zhuangzhuang Ma, Ying Liu, Yanbing Han, Yongtao Tian, Xin-Jian Li, Zhifeng Shi.  (2024)  Unveiling the Effect of Synthetic Atmospheric Humidity on the Performance of FAPbBr3 Nanocrystals and Their PeLEDs.  ACS Photonics,      [PMID:] [10.1021/acsphotonics.4c01811]

6. Jiaxing Zhu, Ciyu Ge, Borui Jiang, Xiang Zhang, Jiajun Luo, Jiang Tang.  (2025)  Efficient Pure-Red Tin-Based Perovskite Light-Emitting Diodes Enabled by Multifunctional Lewis-Base Additives.  ADVANCED FUNCTIONAL MATERIALS,      [PMID:] [10.1002/adfm.202506504]

7. Van-Khoe Vo, Sung-Hoon Bae, Thi Huong Thao Dang, Dinh Hoat Phung, Juhan Kim, Seungwon Lee, Nayoon Lee, Hyo-Jun Lim, Ki-Hee Kim, Joon-Hyung Lee, Young-Woo Heo.  (2024)  Tetraoctylammonium Bromide Interlayer between NiLiOx and Perovskite for Light-Emitting Diodes.  ACS Applied Materials & Interfaces,      [PMID:39530385] [10.1021/acsami.4c13287]

8. Andrei S. Toikka, Ramazan Kenesbay, Maria Baeva, Dmitry M. Mitin, Maria Sandzhieva, Aleksandr Goltaev, Vladimir Fedorov, Alexander Pavlov, Dmitry Gets, Ivan Mukhin, Sergei Makarov.  (2025)  Suppression of phase segregation in red CsPbIBr2-based perovskite LECs/LEDs: impact of Mn doping, crystallization control, and grain passivation.  Journal of Materials Chemistry C,      [PMID:] [10.1039/D4TC05504G]

9. Hao Yao, Xinhua Ouyang.  (2026)  Synergistic phase regulation and defect mitigation in quasi-2D blue perovskite LEDs: Employing novel isomeric blended cations.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2026.172953]