Dinaphtho[2,1,8,7-defg:2',1',8',7'-opqr]pentacene

Base Information

• Chemical Name: Dinaphtho[2,1,8,7-defg:2',1',8',7'-opqr]pentacene
• CAS No.: 188-91-0
• Molecular Formula: C₃₂H₁₆
• Molecular Weight: 400.479
• Hs Code.: 2902909090
• DSSTox Substance ID: DTXSID00535064
• Nikkaji Number: J3.182.569E
• Wikidata: Q82409157
• Mol file: 188-91-0.mol

Synonyms:Dinaphtho[2,1,8,7-defg:2',1',8',7'-opqr]pentacene;188-91-0;nonacyclo[25.3.1.112,16.02,15.05,14.08,13.017,30.020,29.023,28]dotriaconta-1(31),2(15),3,5(14),6,8(13),9,11,16(32),17(30),18,20(29),21,23(28),24,26-hexadecaene;DTXSID00535064

Chemical Property of Dinaphtho[2,1,8,7-defg:2',1',8',7'-opqr]pentacene

Chemical Property:

• PSA: 0.00000
• LogP: 9.22560
• XLogP3: 9.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 400.125200510
• Heavy Atom Count: 32
• Complexity: 704

Purity/Quality:

98%,99%, ^*data from raw suppliers

DINAPHTHO[2,1,8,7-DEFG:2',1',8',7'-OPQR]PENTACENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C3C(=C1)C=C4C5=C6C(=CC7=CC=CC8=C7C6=C(C=C8)C=C5)C9=C4C3=C(C=C2)C=C9

Technology Process of Dinaphtho[2,1,8,7-defg:2',1',8',7'-opqr]pentacene

There total 5 articles about Dinaphtho[2,1,8,7-defg:2',1',8',7'-opqr]pentacene 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: 30.0%

1,4'-bipyrenyl → Dinaphtho<2,1,8,7defg;2',1',8',7'opqr>pentacene (188-91-0)

Guidance literature:

With iron(III) chloride; In nitromethane; dichloromethane; at 20 ℃; for 2h; Inert atmosphere;

DOI:10.1039/c3cc45235b

Reference yield: 12.0%

pyrene (129-00-0) → 1,1'-dipyrenyl (5101-26-8) + dinaphtho[2,1,8,7-defg:2',1',8',7'-ijkl]pentaphene (188-90-9) + Dinaphtho<2,1,8,7defg;2',1',8',7'opqr>pentacene (188-91-0)

Guidance literature:

With aluminium trichloride; copper dichloride; In 1,2-dichloro-benzene; at 35 ℃; for 1h;

Reference yield:

1-chloropyrene (34244-14-9) → Dinaphtho<2,1,8,7defg;2',1',8',7'opqr>pentacene (188-91-0)

Guidance literature:

With aluminium trichloride; iron(III) chloride; at 140 ℃;

DOI:10.1007/BF00899119

upstream raw materials:

1-chloropyrene

1-bromopyrene

pyrene

benzene