CAS 112078-00-9

2,9-Bis[2,6-bis(1-methylethyl)phenyl]-5,6,12,13-tetrachloroanthra[2,1,9-def:6,5,10-d'e'f′]diisoquinoline-1,3,8,10(2H,9H)-tetrone

Description:

2,9-Bis[2,6-bis(1-methylethyl)phenyl]-5,6,12,13-tetrachloroanthra[2,1,9-def:6,5,10-d'e'f′]diisoquinoline-1,3,8,10(2H,9H)-tetrone, with CAS number 112078-00-9, is a complex organic compound characterized by its intricate polycyclic structure and multiple functional groups. This substance features a tetrone moiety, which contributes to its potential reactivity and stability under various conditions. The presence of multiple chlorine atoms enhances its lipophilicity and may influence its biological activity. The bulky isopropyl groups attached to the phenyl rings provide steric hindrance, which can affect the compound's solubility and interaction with other molecules. This compound is of interest in various fields, including materials science and organic electronics, due to its unique electronic properties and potential applications in organic semiconductors. However, detailed studies on its toxicity, environmental impact, and specific applications are necessary to fully understand its characteristics and potential uses.

Formula: C₄₈H₃₈Cl₄N₂O₄

InChI: InChI=1S/C48H38Cl4N2O4/c1-19(2)23-11-9-12-24(20(3)4)43(23)53-45(55)27-15-31(49)37-39-33(51)17-29-36-30(48(58)54(47(29)57)44-25(21(5)6)13-10-14-26(44)22(7)8)18-34(52)40(42(36)39)38-32(50)16-28(46(53)56)35(27)41(37)38/h9-22H,1-8H3

InChI key: InChIKey=LELHJBGISZKCNW-UHFFFAOYSA-N

SMILES: ClC1=C2C3=C4C(C(=O)N(C(=O)C4=C1)C5=C(C(C)C)C=CC=C5C(C)C)=CC(Cl)=C3C=6C=7C2=C(Cl)C=C8C7C(=CC6Cl)C(=O)N(C8=O)C9=C(C(C)C)C=CC=C9C(C)C

Synonyms:

• tetrachloro-PBI
• 2,9-Bis[2,6-bis(1-methylethyl)phenyl]-5,6,12,13-tetrachloroanthra[2,1,9-def:6,5,10-d'e'f′]diisoquinoline-1,3,8,10(2H,9H)-tetrone
• 4Cl-PDI
• Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-bis[2,6-bis(1-methylethyl)phenyl]-5,6,12,13-tetrachloro-
• N,N'-bis(2,6-diisopropylphenyl)-1,6,7,12-tetrachloroperylene-3,4:9,10-tetracarboxylic acid diimide
• 1,6,7,12-Tetrachloro-N,N′-2,6-diisopropylphenylperylene-3,4,9,10-tetracarboxylic acid diimide
• Anthra[2,1,9-def:6,5,10-d'e'f′]diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-bis[2,6-bis(1-methylethyl)phenyl]-5,6,12,13-tetrachloro-

5,6,12,13-Tetrachloro-2,9-bis(2,6-diisopropylphenyl)anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetraone

CAS: 112078-00-9

5,6,12,13-Tetrachloro-2,9-bis(2,6-diisopropylphenyl)anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetraone

Purity: 95%

Molecular weight: 848.65g/mol

Ref: 54-OR1051626