Spiro-MeOTAD - ≥99.9% , CAS No.207739-72-8

CAS: 207739-72-8 Cat. No.: S432310 Summenformel: C₈₁H₆₈N₄O₈ Molekulargewicht: 1225.43 PubChem CID: 16161850

GRADE & PURITY ≥99.9%

Synonyms

N2,N2,N2 inverted exclamation mark ,N2 inverted exclamation mark ,N7,N7,N7 inverted exclamation mark ,N7 inverted exclamation mark -Octakis(4-methoxyphenyl)-9,9 inverted exclamation mark -spirobi[fluorene]-2,2 inverted exclamation mark ,7,7 inverted excla

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Übersicht

Product Application:

Hole and Electron Transport Materials

Specifications

Synonyme

N2,N2,N2 inverted exclamation mark ,N2 inverted exclamation mark ,N7,N7,N7 inverted exclamation mark ,N7 inverted exclamation mark -Octakis(4-methoxyphenyl)-9,9 inverted exclamation mark -spirobi[fluorene]-2,2 inverted exclamation mark ,7,7 inverted excla

Spezifikationen & Reinheit

≥99.9%

Storage

Protected from light,Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥99.9%

Namen und Kennungen

• Pubchem Sid: 488199063
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488199063
• Kanonisches Lächeln: COC1=CC=C(C=C1)N(C2=CC=C(C=C2)OC)C3=CC4=C(C=C3)C5=C(C46C7=C(C=CC(=C7)N(C8=CC=C(C=C8)OC)C9=CC=C(C=C9)OC)C1=C6C=C(C=C1)N(C1=CC=C(C=C1)OC)C1=CC=C(C=C1)OC)C=C(C=C5)N(C1=CC=C(C=C1)OC)C1=CC=C(C=C1)OC
• IUPAC Name: 2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
• InChIKey: XDXWNHPWWKGTKO-UHFFFAOYSA-N
• INCHI: 1S/C81H68N4O8/c1-86-65-29-9-53(10-30-65)82(54-11-31-66(87-2)32-12-54)61-25-45-73-74-46-26-62(83(55-13-33-67(88-3)34-14-55)56-15-35-68(89-4)36-16-56)50-78(74)81(77(73)49-61)79-51-63(84(57-17-37-69(90-5)38-18-57)58-19-39-70(91-6)40-20-58)27-47-75(79)76-48-28-64(52-80(76)81)85(59-21-41-71(92-7)42-22-59)60-23-43-72(93-8)44-24-60/h9-52H,1-8H3
• Isomere SMILES: COC1=CC=C(C=C1)N(C2=CC=C(C=C2)OC)C3=CC4=C(C=C3)C5=C(C46C7=C(C=CC(=C7)N(C8=CC=C(C=C8)OC)C9=CC=C(C=C9)OC)C1=C6C=C(C=C1)N(C1=CC=C(C=C1)OC)C1=CC=C(C=C1)OC)C=C(C=C5)N(C1=CC=C(C=C1)OC)C1=CC=C(C=C1)OC
• PubChem CID: 16161850
• Molekulargewicht: 1225.43

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Klasse Organonitrogen compounds
      • Subclass Amines
        • Ebene5 Tertiary amines
          • Ebene6 Triarylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Klasse: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines
• Direct Parent: Triarylamines
• Alternative Parents: Fluorenes Methoxyanilines Aminophenyl ethers Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Tertiary aromatic amine - Fluorene - Aminophenyl ether - Methoxyaniline - Anisole - Phenoxy compound - Phenol ether - Aniline or substituted anilines - Methoxybenzene - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Ether - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic homopolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as triarylamines. These are organic compounds containing a trialkylamine group, characterized by exactly three aryl groups bonded to the amino nitrogen.
• 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Air sensitive;Light sensitive; Moisture sensitive
• Schmelzpunkt (°C): 243-248 ℃
• Molekulargewicht: 1225.400 g/mol
• XLogP3: 19.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 20
• Exact Mass: 1224.5 Da
• Monoisotopic Mass: 1224.5 Da
• Topological Polar Surface Area: 86.800 Ų
• Heavy Atom Count: 93
• Formal Charge: 0
• Complexity: 1830.000
• 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

Referenzen

1. Zhang Xinxin, Zhang Jiejing, Su Pengyu, Feng Shuang, Xu Ri, Bian Chang, Fu Wuyou, Yang Haibin, Li Zhihui.  (2020)  Perovskite-Type BaTiO3 Nanocrystal Modifier in TiO2/CH3NH3PbI3 Interface to Enhance the Performance of Planar Perovskite Solar Cells.  JOURNAL OF ELECTRONIC MATERIALS,  49  (8): (4601-4609).  [PMID:] [10.1007/s11664-020-08216-5]

2. Zhu Wentao, Lv Yanqi, Chen Huanhuan, Yang Jiawei, Zhou Xingfu.  (2018)  Cadmium and ytterbium Co-doped TiO2 nanorod arrays perovskite solar cells: enhancement of open circuit voltage and short circuit current density.  JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS,  29  (24): (21138-21144).  [PMID:] [10.1007/s10854-018-0262-z]

3. Sun Zeyuan, Gu Ningxia, Zha Leying, Ning Lei, Du Pingfan, Shi Chenyang, Song Lixin, Xiong Jie.  (2024)  Air-processed 2D/3D perovskite solar cell achieve high-efficient and stable performance via graded interface engineering.  MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING,      [PMID:] [10.1016/j.mssp.2024.108185]

4. Dongxue Fan, Kai Cui, Yang Li, Caiqin Miao, Qun Wang, Xiaohong Wu.  (2025)  Two Birds with One Stone: Minimizing Voltage Deficit via Three Moieties of F, COOH, and NH2 of Carbon Dots Modifying the SnO2 Electron Transport Layer and Buried Interface for Flexible Perovskite Solar Cells.  ACS Applied Energy Materials,      [PMID:] [10.1021/acsaem.5c00341]

5. Jingjing Liu, Biao Shi, Qiaojing Xu, Yucheng Li, Bingbing Chen, Qi Wang, Pengyang Wang, Ying Zhao, Xiaodan Zhang.  (2021)  Crystalline quality control in sequential vapor deposited perovskite film toward high efficiency and large scale solar cells.  SOLAR ENERGY MATERIALS AND SOLAR CELLS,      [PMID:] [10.1016/j.solmat.2021.111382]

6. Weiwei Dong, Junjie Fu, Zhengqing Wang, You Sun, Jing Zhang, Jiajing Chu, Tianhui Li, Jin Yang, Ke Wang, Dandan Zhao, Yange Zhang, Zhi Zheng.  (2026)  Boosting Ag2S Solar Cell Efficiency by Back Interface Engineering.  ADVANCED FUNCTIONAL MATERIALS,      [PMID:] [10.1002/adfm.202526960]