97097-95-5
1,6,7,12-TETRACHLORO-N-N'-BIS(OCTADECYL)-PERYLENE-3,4,9,10-TETRACARBOXYLIC ACID DIIMIDE
Name1,6,7,12-TETRACHLORO-N-N'-BIS(OCTADECYL)-PERYLENE-3,4,9,10-TETRACARBOXYLIC ACID DIIMIDE
1Identification
【Name】
1,6,7,12-TETRACHLORO-N-N'-BIS(OCTADECYL)-PERYLENE-3,4,9,10-TETRACARBOXYLIC ACID DIIMIDE
【CAS】
【MDL】
MFCD10566384
【English Synonyms】
【Formula】
C60 H78 Cl4 N2 O4
【MolWeight】
1033.1
【Inchi】
InChI=1S/C60H78Cl4N2O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-65-57(67)41-37-45(61)51-53-47(63)39-43-50-44(40-48(64)54(56(50)53)52-46(62)38-42(58(65)68)49(41)55(51)52)60(70)66(59(43)69)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37-40H,3-36H2,1-2H3
【InChIKey】
InChIKey=LKVQVOQOQJVPQF-UHFFFAOYSA-N
【SMILES】
CCCCCCCCCCCCCCCCCCN1C(=O)c2cc(c3c4c(cc5c6c4c(c(cc6C(=O)N(C5=O)CCCCCCCCCCCCCCCCCC)Cl)c7c3c2c(cc7Cl)C1=O)Cl)Cl
【MOL File】
1,6,7,12-TETRACHLORO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:23.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,6,7,12-TETRACHLORO-N-N'-BIS(OCTADECYL)-PERYLENE-3,4,9,10-TETRACARBOXYLIC ACID DIIMIDE.cml