3-[(2E)-2-[(2E)-2-[3-[(E)-2-[3-(3-aminopropyl)-1,1-dimethylbenzo[e]indol-3-ium-2-yl]ethenyl]-2-chlorocyclohex-2-en-1-ylidene]ethylidene]-1,1-dimethylbenzo[e]indol-3-yl]propan-1-amine;bromide;dihydrobromide

3-[(2E)-2-[(2E)-2-[3-[(E)-2-[3-(3-aminopropyl)-1,1-dimethylbenzo[e]indol-3-ium-2-yl]ethenyl]-2-chlorocyclohex-2-en-1-ylidene]ethylidene]-1,1-dimethylbenzo[e]indol-3-yl]propan-1-amine;bromide;dihydrobromide · CAS 162411-30-5

中文名: 暂无
中文别名: 暂无
英文名: 3-[(2E)-2-[(2E)-2-[3-[(E)-2-[3-(3-aminopropyl)-1,1-dimethylbenzo[e]indol-3-ium-2-yl]ethenyl]-2-chlorocyclohex-2-en-1-ylidene]ethylidene]-1,1-dimethylbenzo[e]indol-3-yl]propan-1-amine;bromide;dihydrobromide
CAS: 162411-30-5
CID: 16212554
IUPAC 名称: 3-[(2E)-2-[(2E)-2-[3-[(E)-2-[3-(3-aminopropyl)-1,1-dimethylbenzo[e]indol-3-ium-2-yl]ethenyl]-2-chlorocyclohex-2-en-1-ylidene]ethylidene]-1,1-dimethylbenzo[e]indol-3-yl]propan-1-amine;bromide;dihydrobromide

名称与编号

中文名: 暂无
中文别名: 暂无
英文名: 3-[(2E)-2-[(2E)-2-[3-[(E)-2-[3-(3-aminopropyl)-1,1-dimethylbenzo[e]indol-3-ium-2-yl]ethenyl]-2-chlorocyclohex-2-en-1-ylidene]ethylidene]-1,1-dimethylbenzo[e]indol-3-yl]propan-1-amine;bromide;dihydrobromide
CAS: 162411-30-5
CID: 16212554
IUPAC 名称: 3-[(2E)-2-[(2E)-2-[3-[(E)-2-[3-(3-aminopropyl)-1,1-dimethylbenzo[e]indol-3-ium-2-yl]ethenyl]-2-chlorocyclohex-2-en-1-ylidene]ethylidene]-1,1-dimethylbenzo[e]indol-3-yl]propan-1-amine;bromide;dihydrobromide

分子属性

分子式: C44H52Br3ClN4
分子量: 912.1 g/mol
精确质量: 910.14101 Da
单同位素质量: 908.14306 Da
XLogP: 暂无
极性表面积: 58.3 Å²
氢键供体: 4
氢键受体: 4
可旋转键: 9
重原子数: 52
净电荷: 0
结构复杂度: 1270

结构标识

InChIKey: PHRDMCWGSHZZAU-UHFFFAOYSA-M
SMILES: CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)CCCN)/C=C/C4=C(/C(=C/C=C/5\C(C6=C(N5CCCN)C=CC7=CC=CC=C76)(C)C)/CCC4)Cl)C.Br.Br.[Br-]
InChI: InChI=1S/C44H50ClN4.3BrH/c1-43(2)38(48(28-10-26-46)36-22-18-30-12-5-7-16-34(30)40(36)43)24-20-32-14-9-15-33(42(32)45)21-25-39-44(3,4)41-35-17-8-6-13-31(35)19-23-37(41)49(39)29-11-27-47;;;/h5-8,12-13,16-25H,9-11,14-15,26-29,46-47H2,1-4H3;3*1H/q+1;;;/p-1