70446-28-5
1-ETHYL-2-[(E)-2-(3-((E)-2-[1-ETHYL-2(1H)-QUINOLINYLIDENE]ETHYLIDENE)-2-METHOXY-1-CYCLOHEXEN-1-YL)ETHENYL]QUINOLINIUM IODIDE
Name1-ETHYL-2-[(E)-2-(3-((E)-2-[1-ETHYL-2(1H)-QUINOLINYLIDENE]ETHYLIDENE)-2-METHOXY-1-CYCLOHEXEN-1-YL)ETHENYL]QUINOLINIUM IODIDE
1Identification
【Name】
1-ETHYL-2-[(E)-2-(3-((E)-2-[1-ETHYL-2(1H)-QUINOLINYLIDENE]ETHYLIDENE)-2-METHOXY-1-CYCLOHEXEN-1-YL)ETHENYL]QUINOLINIUM IODIDE
【CAS】
【MDL】
MFCD06409618
【English Synonyms】
【Formula】
C33 H35 N2 O . I
【MolWeight】
602.552
【Inchi】
InChI=1S/C33H35N2O.HI/c1-4-34-29(21-17-25-11-6-8-15-31(25)34)23-19-27-13-10-14-28(33(27)36-3)20-24-30-22-18-26-12-7-9-16-32(26)35(30)5-2;/h6-9,11-12,15-24H,4-5,10,13-14H2,1-3H3;1H/q+1;/p-1
【InChIKey】
InChIKey=POTBXVZBIBHMBV-UHFFFAOYSA-M
【SMILES】
CC[n+]1c(ccc2c1cccc2)/C=C/C3=C(/C(=C/C=C/4\C=Cc5ccccc5N4CC)/CCC3)OC.[I-]
【MOL File】
1-ETHYL-2-[(E)-2-(3-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-ETHYL-2-[(E)-2-(3-((E)-2-[1-ETHYL-2(1H)-QUINOLINYLIDENE]ETHYLIDENE)-2-METHOXY-1-CYCLOHEXEN-1-YL)ETHENYL]QUINOLINIUM IODIDE.cml