5,10-Dioxo-5,10-dihydroanthra[9,1,2-cde]benzo[rst]pentaphene-16,17-diyl dioctadecanoate

Base Information

• Chemical Name: 5,10-Dioxo-5,10-dihydroanthra[9,1,2-cde]benzo[rst]pentaphene-16,17-diyl dioctadecanoate
• CAS No.: 82145-74-2
• Molecular Formula: C70H84 O6
• Molecular Weight: 1021.43
• DSSTox Substance ID: DTXSID00562254
• Nikkaji Number: J2.967.227J
• Wikidata: Q82446334
• Mol file: 82145-74-2.mol

Synonyms:Violanthrone-78;82145-74-2;5,10-Dioxo-5,10-dihydroanthra[9,1,2-cde]benzo[rst]pentaphene-16,17-diyl dioctadecanoate;Pentaphene-78;(34-octadecanoyloxy-12,21-dioxo-30-nonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(30),2(34),3(16),4(13),5(33),6,8,10,14,17(31),18,20(32),22,24,26,28-hexadecaenyl) octadecanoate;DTXSID00562254

Chemical Property of 5,10-Dioxo-5,10-dihydroanthra[9,1,2-cde]benzo[rst]pentaphene-16,17-diyl dioctadecanoate

Chemical Property:

• Melting Point: 287.2oC (dec.)(lit.)
• PSA: 86.74000
• LogP: 19.54140
• XLogP3: 24.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 36
• Exact Mass: 1020.62679039
• Heavy Atom Count: 76
• Complexity: 1650

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)OC1=C2C3=C(C=CC4=C3C(=C1)C5=CC=CC=C5C4=O)C6=C7C2=C(C=C8C7=C(C=C6)C(=O)C9=CC=CC=C98)OC(=O)CCCCCCCCCCCCCCCCC

Technology Process of 5,10-Dioxo-5,10-dihydroanthra[9,1,2-cde]benzo[rst]pentaphene-16,17-diyl dioctadecanoate

There total 1 articles about 5,10-Dioxo-5,10-dihydroanthra[9,1,2-cde]benzo[rst]pentaphene-16,17-diyl dioctadecanoate 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:

Stearoyl chloride (112-76-5) → violanthrone-78 (82145-74-2)

Guidance literature:

With pyridine; chlorobenzene;

upstream raw materials:

Stearoyl chloride