Hexabenzo[bc,ef,hi,kl,no,qr]coronene

Base Information

• Chemical Name: Hexabenzo[bc,ef,hi,kl,no,qr]coronene
• CAS No.: 190-24-9
• Molecular Formula: C42H18
• Molecular Weight: 522.605
• Hs Code.: 2914399090
• NSC Number: 91579
• UNII: 8TZ95D8GP4
• DSSTox Substance ID: DTXSID30172446
• Nikkaji Number: J1.063.917D
• Wikipedia: Hexabenzocoronene
• Wikidata: Q5748616
• Mol file: 190-24-9.mol

Synonyms:hexa-peri-hexabenzocoronene

Chemical Property of Hexabenzo[bc,ef,hi,kl,no,qr]coronene

Chemical Property:

• Melting Point: >600 °C
• Refractive Index: 2.402
• PSA: 0.00000
• Density: 1.633 g/cm³
• LogP: 12.15180
• XLogP3: 12
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 522.140850574
• Heavy Atom Count: 42
• Complexity: 864

Purity/Quality:

99% ^*data from raw suppliers

1,2,3,4,5,6.7,8,9,10,11,12-HEXABENZOCORONENE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C3C=CC=C4C3=C5C6=C2C(=C1)C7=C8C6=C9C1=C(C8=CC=C7)C=CC=C1C1=CC=CC2=C1C9=C5C1=C4C=CC=C21
• General Description: 1,12,2.3,4.5,6.7,8.9,10.11-Hexabenzocoronene (HBC) is a polycyclic aromatic hydrocarbon with a large, planar, graphene-like core, known for its electronic and optoelectronic properties. It can form columnar assemblies in liquid-crystalline phases and thin films, exhibiting charge-carrier mobility comparable to nonfluorinated derivatives. Functionalized HBC derivatives, such as those with dithienylethene pendants, enable photoresponsive behavior, modulating photoconductivity through photochromic switching. Fluorine-substituted HBCs improve processibility and electronic properties while mitigating oxidation issues, making them promising for applications in organic electronics and photoresponsive nanomaterials.

Technology Process of Hexabenzo[bc,ef,hi,kl,no,qr]coronene

There total 10 articles about Hexabenzo[bc,ef,hi,kl,no,qr]coronene which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.8%

1,2,3,4-tetraphenyltriphenylene (36262-81-4) → hexabenzocoronene (190-24-9)

Guidance literature:

With iron(III) chloride; In nitromethane; dichloromethane; for 2h; Inert atmosphere;

Reference yield: 95.0%

hexaphenylbenzene (992-04-1) → hexabenzocoronene (190-24-9)

Guidance literature:

With iron(III) chloride; In nitromethane; dichloromethane; at 20 ℃; for 4h; Inert atmosphere;

DOI:10.1021/jacs.5b06493

Reference yield: 80.0%

3,5-di(2-biphenylyl)-o-terphenyl (16322-10-4) → hexabenzocoronene (190-24-9)

Guidance literature:

With iron(III) chloride; In nitromethane; dichloromethane; for 1h;

DOI:10.1021/ol053043z

upstream raw materials:

hexaphenylbenzene

hexabenzo[a,cd,f,j,lm,o]perylene

8H-benzo[fg]naphthacene

benzo[fg]naphthacen-8-one

Downstream raw materials:

pyrographite

Refernces

Hexabenzocoronene graphitic nanotube appended with dithienylethene pendants: Photochromism for the modulation of photoconductivity

10.1002/adma.200902601

The investigates a novel semiconducting organic nanotube appended with dithienylethene (DTE) pendants, which exhibits modulatable photoconductivity due to the photochromic nature of DTE. The nanotube is obtained by controlled self-assembly of a Gemini-shaped amphiphilic hexabenzocoronene (HBC) with a DTE unit at one terminus of its triethylene glycol side chains. The study demonstrates that the photoisomerization of DTE pendants between open and closed forms leads to changes in photoconductivity, with the closed form yielding greater photocarrier generation. The research provides a prototype for multimode photoresponsive soft nanomaterials.

A fluorine-substituted hexakisdecyloxy-hexa-peri-hexabenzocoronene

10.1021/ol051972k

The study presents the synthesis and characterization of a fluorine-substituted hexakisdecyloxyhexa-peri-hexabenzocoronene (HBC), a compound known for its electronic and optoelectronic properties. The researchers used 2,6-difluorophenol as the starting material, which was alkylated, iodinated, and coupled with trimethylsilyacetylene to form intermediate compounds. These were then subjected to cyclotrimerization and cyclodehydrogenation to yield the final product. The purpose of these chemicals was to create a fluorine-substituted HBC that could potentially avoid oxidation issues encountered in the synthesis of alkoxy HBCs, by using electron-withdrawing fluorine groups to counteract the electron-donating effects of alkoxy groups. The synthesized compound was found to form columnar assemblies in its liquid-crystalline phase and in thin films, and it showed similar charge-carrier mobility to nonfluorinated HBCs, with electrochemical data suggesting the possibility of electron injection into the material. This study aimed to understand the effects of different substituents on the morphological and electronic properties of HBCs, with potential applications in device structures due to the compound's improved processibility and electronic properties.

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