6,13-Bis(triisopropylsilylethynyl)pentacene - ≥98%(HPLC) , CAS No.373596-08-8

CAS: 373596-08-8 Cat. No.: B152096 Molecular Weight: 639.09 EC Number: 679-579-2

GRADE & PURITY ≥98%(HPLC)

Synonyms

DS-3762 | 6,13-Bis(triisopropylsilylethynyl)pentacene | 6,13-bis(triisopropylsilylethynyl) pentacene | FMZQNTNMBORAJM-UHFFFAOYSA-N | YSWG754 | 6,13-Bis((triisopropylsilyl)ethynyl)pentacene | C74919 | B3562 | TIPS Pentacene | 6,13-Bis(triisopropylsilylethy

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

6,13-Bis(triisopropylsilylethynyl)pentacene (TIPS-pentacene) is a conductive polymer that can form organic thin films for a variety of semiconductor applications due to its high charge carrier mobility and stability.

Specifications

Synonyms

DS-3762 | 6, 13-Bis(triisopropylsilylethynyl)pentacene | 6, 13-bis(triisopropylsilylethynyl) pentacene | FMZQNTNMBORAJM-UHFFFAOYSA-N | YSWG754 | 6, 13-Bis((triisopropylsilyl)ethynyl)pentacene | C74919 | B3562 | TIPS Pentacene | 6, 13-Bis(triisopropylsilylethy

Specifications & Purity

≥98%(HPLC)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 504767879
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767879
• Canonical Smiles: CC(C)[Si](C#CC1=C2C=C3C=CC=CC3=CC2=C(C4=CC5=CC=CC=C5C=C41)C#C[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
• IUPAC Name: tri(propan-2-yl)-[2-[13-[2-tri(propan-2-yl)silylethynyl]pentacen-6-yl]ethynyl]silane
• InChIKey: FMZQNTNMBORAJM-UHFFFAOYSA-N
• INCHI: 1S/C44H54Si2/c1-29(2)45(30(3)4,31(5)6)23-21-39-41-25-35-17-13-15-19-37(35)27-43(41)40(22-24-46(32(7)8,33(9)10)34(11)12)44-28-38-20-16-14-18-36(38)26-42(39)44/h13-20,25-34H,1-12H3
• Isomeric SMILES: CC(C)[Si](C#CC1=C2C=C3C=CC=CC3=CC2=C(C4=CC5=CC=CC=C5C=C41)C#C[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
• Molecular Weight: 639.09
• Reaxy-Rn: 9028932
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9028932&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Pentacenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Pentacenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pentacenes
• Alternative Parents: Trialkylsilanes Organic metalloid salts Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Pentacene - Trialkylsilane - Organic metalloid salt - Hydrocarbon derivative - Organosilicon compound - Alkylsilane - Organic metalloid moeity - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pentacenes. These are compounds containing a pentacene moiety, which is consists of five linearly fused benzene rings.
• 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

• Sensitivity: light & Moisture & air sensitive
• Melt Point(°C): 221°C(lit.)
• Molecular Weight: 639.100 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 10
• Exact Mass: 638.376 Da
• Monoisotopic Mass: 638.376 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 46
• Formal Charge: 0
• Complexity: 986.000
• 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

XLogP3

References

1. Zhao Xiaotong, Du Peng, Qiu Fei, Hou Yuanlang, Lu Hanxiao, Zhang Jiemin, Geng Xiangshun, Dun Guanhua, Chen Sisi, Lei Ming, Ren Tian-Ling.  (2024)  Driving organic field-effect transistors: enhancing crystallization and electrical performance with blends and inkjet printing.  Advanced Composites and Hybrid Materials,  7  (6): (1-14).  [PMID:] [10.1007/s42114-024-01025-y]

2. Bingyang Liu, Jialin Wang, Guoxin Zhang, Gengxin Du, Huihui Xia, Weiwei Deng, Xinyan Zhao.  (2024)  Using a Flexible Fountain Pen to Directly Write Organic Semiconductor Patterns with Crystallization Regulated by the Precursor Film.  Small Methods,      [PMID:39054724] [10.1002/smtd.202400098]