41635-87-4
ANTHRA2'',1'',9'':4,5,6:6'',5'',10'':4',5',6'DIISOQUINOLINO2,1-A:2',1'-ADIPERIMIDINE-8,20-DIONE
NameANTHRA2'',1'',9'':4,5,6:6'',5'',10'':4',5',6'DIISOQUINOLINO2,1-A:2',1'-ADIPERIMIDINE-8,20-DIONE
1Identification
【Name】
ANTHRA2'',1'',9'':4,5,6:6'',5'',10'':4',5',6'DIISOQUINOLINO2,1-A:2',1'-ADIPERIMIDINE-8,20-DIONE
【CAS】
【MDL】
MFCD00151611
【English Synonyms】
ANTHRA2'',1'',9'':4,5,6:6'',5'',10'':4',5',6'DIISOQUINOLINO2,1-A:2',1'-ADIPERIMIDINE-8,20-DIONE
【Formula】
C44 H20 N4 O2
【MolWeight】
636.668
【Inchi】
InChI=1S/C44H20N4O2/c49-43-29-19-15-25-24-14-18-28-40-30(44(50)48-34-12-4-8-22-6-2-10-32(36(22)34)46-42(28)48)20-16-26(38(24)40)23-13-17-27(39(29)37(23)25)41-45-31-9-1-5-21-7-3-11-33(35(21)31)47(41)43/h1-20H
【InChIKey】
InChIKey=MDFFDZMXEZGZPB-UHFFFAOYSA-N
【SMILES】
c1cc2cccc3c2c(c1)nc4n3c(=O)c5ccc6c7ccc8c9c7c(ccc9c(=O)n1c8nc2cccc3c2c1ccc3)c1c6c5c4cc1
【MOL File】
ANTHRA2'',1'',9'':4,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:9.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ANTHRA2'',1'',9'':4,5,6:6'',5'',10'':4',5',6'DIISOQUINOLINO2,1-A:2',1'-ADIPERIMIDINE-8,20-DIONE.cml