2-{2-[2-(diphenylamino)-3-(2-{1-ethyl-1H,2H-naphtho[1,2-d][1,3]thiazol-2-ylidene}ethylidene)cyclopent-1-en-1-yl]ethenyl}-1-ethylnaphtho[1,2-d][1,3]thiazol-1-ium perchlorate
2-{2-[2-(diphenylamino)-3-(2-{1-ethyl-1H,2H-naphtho[1,2-d][1,3]thiazol-2-ylidene}ethylidene)cyclopent-1-en-1-yl]ethenyl}-1-ethylnaphtho[1,2-d][1,3]thiazol-1-ium perchlorate · CAS 54849-65-9
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 2-{2-[2-(diphenylamino)-3-(2-{1-ethyl-1H,2H-naphtho[1,2-d][1,3]thiazol-2-ylidene}ethylidene)cyclopent-1-en-1-yl]ethenyl}-1-ethylnaphtho[1,2-d][1,3]thiazol-1-ium perchlorate
- CAS
- 54849-65-9
- CID
- 165945626
- IUPAC 名称
- N-[(5E)-2-[(E)-2-(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)ethenyl]-5-[(2Z)-2-(1-ethylbenzo[e][1,3]benzothiazol-2-ylidene)ethylidene]cyclopenten-1-yl]-N-phenylaniline perchlorate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 2-{2-[2-(diphenylamino)-3-(2-{1-ethyl-1H,2H-naphtho[1,2-d][1,3]thiazol-2-ylidene}ethylidene)cyclopent-1-en-1-yl]ethenyl}-1-ethylnaphtho[1,2-d][1,3]thiazol-1-ium perchlorate
- CAS
- 54849-65-9
- CID
- 165945626
- IUPAC 名称
- N-[(5E)-2-[(E)-2-(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)ethenyl]-5-[(2Z)-2-(1-ethylbenzo[e][1,3]benzothiazol-2-ylidene)ethylidene]cyclopenten-1-yl]-N-phenylaniline perchlorate
分子属性
- 分子式
- C47H40ClN3O4S2
- 分子量
- 810.4 g/mol
- 精确质量
- 809.2148768 Da
- 单同位素质量
- 809.2148768 Da
- XLogP
- 暂无
- 极性表面积
- 138 Ų
- 氢键供体
- 0
- 氢键受体
- 8
- 可旋转键
- 8
- 重原子数
- 57
- 净电荷
- 0
- 结构复杂度
- 1350
结构标识
- InChIKey
- ZLNSUEKWRIRUKH-UHFFFAOYSA-M
- SMILES
- CCN1/C(=C/C=C/2\CCC(=C2N(C3=CC=CC=C3)C4=CC=CC=C4)/C=C/C5=[N+](C6=C(S5)C=CC7=CC=CC=C76)CC)/SC8=C1C9=CC=CC=C9C=C8.[O-]Cl(=O)(=O)=O
- InChI
- InChI=1S/C47H40N3S2.ClHO4/c1-3-48-43(51-41-29-25-33-15-11-13-21-39(33)46(41)48)31-27-35-23-24-36(45(35)50(37-17-7-5-8-18-37)38-19-9-6-10-20-38)28-32-44-49(4-2)47-40-22-14-12-16-34(40)26-30-42(47)52-44;2-1(3,4)5/h5-22,25-32H,3-4,23-24H2,1-2H3;(H,2,3,4,5)/q+1;/p-1