Spiro-MeOTAD - ≥99%(HPLC) , CAS No.207739-72-8

CAS: 207739-72-8 Cat. No.: S432309 Molecular Weight: 1225.43 PubChem CID: 16161850

GRADE & PURITY ≥99%(HPLC)

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

Store at 2-8°C

Shipped In

Wet ice

Overview

General Description

We are committed to bringing you Greener Alternative Products,which adhere to one or more of The 12 Principles of Greener Chemistry. This product is an enabling product used as a Hole Transport Material for high-performance solar cells and thus has been enhanced for energy efficiency. Click here for more information.

Application

High-mobility material used for white OLEDs to increase hole injection and transport. It is the best solid-state hole transporting material, to date, used to replace the liquid electrolyte for DSSC solar cells, due to an excellent pore-filling property in nanoporous TiO 2 film with pore size of around 30-50 nm; attributed to its small molecular size.

Specifications

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

Specifications & Purity

≥99%(HPLC)

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥99%(HPLC)

Names and Identifiers

• Canonical 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
• 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
• Isomeric 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
• Molecular Weight: 1225.43

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Triarylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Melt Point(°C): 243-248 ℃
• Molecular Weight: 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

References

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]