91776-83-9
6-[(DIETHYLAMINO)CARBONYL]-4-((E)-3-[6-[(DIETHYLAMINO)CARBONYL]-1-ETHYL-4(1H)-QUINOLINYLIDENE]-1-PROPENYL)-1-ETHYLQUINOLINIUM IODIDE
Name6-[(DIETHYLAMINO)CARBONYL]-4-((E)-3-[6-[(DIETHYLAMINO)CARBONYL]-1-ETHYL-4(1H)-QUINOLINYLIDENE]-1-PROPENYL)-1-ETHYLQUINOLINIUM IODIDE
pro_formulaC35 H43 N4 O2 . I
1Identification
【Name】
6-[(DIETHYLAMINO)CARBONYL]-4-((E)-3-[6-[(DIETHYLAMINO)CARBONYL]-1-ETHYL-4(1H)-QUINOLINYLIDENE]-1-PROPENYL)-1-ETHYLQUINOLINIUM IODIDE
【CAS】
【MDL】
MFCD06409708
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C35 H43 N4 O2 . I
【pro_molWeight】
678.651
【Inchi】
InChI=1S/C35H43N4O2.HI/c1-7-36(8-2)34(40)28-16-18-32-30(24-28)26(20-22-38(32)11-5)14-13-15-27-21-23-39(12-6)33-19-17-29(25-31(27)33)35(41)37(9-3)10-4;/h13-25H,7-12H2,1-6H3;1H/q+1;/p-1
【InChIKey】
InChIKey=HDDMUDWDJGEXNS-UHFFFAOYSA-M
【SMILES】
CC[n+]1ccc(c2c1ccc(c2)C(=O)N(CC)CC)/C=C/C=C/3\C=CN(c4c3cc(cc4)C(=O)N(CC)CC)CC.[I-]
【MOL File】
6-[(DIETHYLAMINO)CAR….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:6
XLogP3:4.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
6-[(DIETHYLAMINO)CARBONYL]-4-((E)-3-[6-[(DIETHYLAMINO)CARBONYL]-1-ETHYL-4(1H)-QUINOLINYLIDENE]-1-PROPENYL)-1-ETHYLQUINOLINIUM IODIDE.cml