ITIC-4F
HIT214315249
sdf文件结构编辑类似物检索
HIT ID: HIT214315249
Cas No: 2097998-59-7
分子式: C94H78F4N4O2S4
分子量: 1499.92
常用名: ITIC-4F
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 2-{2-[(20-{[1-(dicyanomethylidene)-5,6-difluoro-3-oxo-2,3-dihydro-1H-inden-2-ylidene]methyl}-12,12,24,24-tetrakis(4-hexylphenyl)-5,9,17,21-tetrathiaheptacyclo[13.9.0.0^{3,13}.0^{4,11}.0^{6,10}.0^{16,23}.0^{18,22}]tetracosa-1(15),2,4(11),6(10),7,13,16(23),18(22),19-nonaen-8-yl)methylidene]-5,6-difluoro-3-oxo-2,3-dihydro-1H-inden-1-ylidene}propanedinitrile
IUPAC: 2-{2-[(20-{[1-(dicyanomethylidene)-5,6-difluoro-3-oxo-2,3-dihydro-1H-inden-2-ylidene]methyl}-12,12,24,24-tetrakis(4-hexylphenyl)-5,9,17,21-tetrathiaheptacyclo[13.9.0.0^{3,13}.0^{4,11}.0^{6,10}.0^{16,23}.0^{18,22}]tetracosa-1(15),2,4(11),6(10),7,13,16(23),18(22),19-nonaen-8-yl)methylidene]-5,6-difluoro-3-oxo-2,3-dihydro-1H-inden-1-ylidene}propanedinitrile
SMILES: [#6]-[#6]-[#6]-[#6]-[#6]-[#6]-c1ccc(cc1)C1(c2cc3-c4sc5cc(-[#6]=[#6]6-[#6](=O)-c7cc(F)c(F)cc7\[#6]-6=[#6](/C#N)C#N)sc5c4C(c3cc2-c2sc3cc(-[#6]=[#6]4-[#6](=O)-c5cc(F)c(F)cc5\[#6]-4=[#6](/C#N)C#N)sc3c12)(c1ccc(-[#6]-[#6]-[#6]-[#6]-[#6]-[#6])cc1)c1ccc(-[#6]-[#6]-[#6]-[#6]-[#6]-[#6])cc1)c1ccc(-[#6]-[#6]-[#6]-[#6]-[#6]-[#6])cc1 |w:51.57,21.21|
SMILES: [#6]-[#6]-[#6]-[#6]-[#6]-[#6]-c1ccc(cc1)C1(c2cc3-c4sc5cc(-[#6]=[#6]6-[#6](=O)-c7cc(F)c(F)cc7\[#6]-6=[#6](/C#N)C#N)sc5c4C(c3cc2-c2sc3cc(-[#6]=[#6]4-[#6](=O)-c5cc(F)c(F)cc5\[#6]-4=[#6](/C#N)C#N)sc3c12)(c1ccc(-[#6]-[#6]-[#6]-[#6]-[#6]-[#6])cc1)c1ccc(-[#6]-[#6]-[#6]-[#6]-[#6]-[#6])cc1)c1ccc(-[#6]-[#6]-[#6]-[#6]-[#6]-[#6])cc1 |w:51.57,21.21|
InChI key: JOZQXSUYCMNTCH-UHFFFAOYSA-N
共显示2个结果
供应商规格单价货期纯度操作
TargetMol
SC
578 购物车
Mcule
SC
10274-5周 购物车
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