Name: TMPyP tetrachloride
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214308844
Cas No:92739-63-4
常用名:TMPyP tetrachloride
IUPAC:1-methyl-4-[7,12,17-tris(1-methylpyridin-1-ium-4-yl)-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-2-yl]pyridin-1-ium tetrachloride
IUPAC:1-methyl-4-[7,12,17-tris(1-methylpyridin-1-ium-4-yl)-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-2-yl]pyridin-1-ium tetrachloride
InChI key:QAJDBICYDICFCM-GVHKZQBISA-K

分子式:C44H38Cl4N8
分子量:820.64
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[Cl-].[Cl-].[Cl-].[Cl-].C[n+]1ccc(cc1)-c1c2ccc(n2)c(-c2cc[n+](C)cc2)c2ccc([nH]2)c(-c2cc[n+](C)cc2)c2ccc(n2)c(-c2cc[n+](C)cc2)c2ccc1[nH]2
SMILES:[Cl-].[Cl-].[Cl-].[Cl-].C[n+]1ccc(cc1)-c1c2ccc(n2)c(-c2cc[n+](C)cc2)c2ccc([nH]2)c(-c2cc[n+](C)cc2)c2ccc(n2)c(-c2cc[n+](C)cc2)c2ccc1[nH]2

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