55034-81-6
BISBENZIMIDAZO2,1-A:1',2'-B'ANTHRA2,1,9-DEF:6,5,10-D'E'F'DIISOQUINOLINE-6,11-DIONE
Name
BISBENZIMIDAZO2,1-A:1',2'-B'ANTHRA2,1,9-DEF:6,5,10-D'E'F'DIISOQUINOLINE-6,11-DIONE
Formula
C36 H16 N4 O2
MolWeight
536.548
1Identification
【Name】
BISBENZIMIDAZO2,1-A:1',2'-B'ANTHRA2,1,9-DEF:6,5,10-D'E'F'DIISOQUINOLINE-6,11-DIONE
【CAS】
【MDL】
MFCD00799326
【English Synonyms】
【Formula】
C36 H16 N4 O2
【MolWeight】
536.548
【Inchi】
InChI=1S/C36H16N4O2/c41-35-23-15-11-19-20-12-16-24-32-22(34-38-26-6-2-4-8-28(26)40(34)36(24)42)14-10-18(30(20)32)17-9-13-21(31(23)29(17)19)33-37-25-5-1-3-7-27(25)39(33)35/h1-16H
【InChIKey】
InChIKey=HCTHYIRJERPQJA-UHFFFAOYSA-N
【SMILES】
c1ccc2c(c1)nc3n2c(=O)c4ccc5c6ccc7c8c6c(ccc8c9nc1ccccc1n9c7=O)c1c5c4c3cc1
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
BISBENZIMIDAZO2,1-A:1',2'-B'ANTHRA2,1,9-DEF:6,5,10-D'E'F'DIISOQUINOLINE-6,11-DIONE.cml
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