Name: Tetrakis (4-carboxyphenyl) porphyrin
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212062795
Cas No:14609-54-2
常用名:Tetrakis (4-carboxyphenyl) porphyrin
常用名:Tetrakis (4-carboxyphenyl) porphyrin
别名:中-四(4-羧基苯基)卟吩, Tetracarboxyphenylporphine, TCPP
别名:中-四(4-羧基苯基)卟吩, Tetracarboxyphenylporphine, TCPP
IUPAC:4-[7,12,17-tris(4-carboxyphenyl)-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]benzoic acid
IUPAC:4-[7,12,17-tris(4-carboxyphenyl)-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]benzoic acid
InChI key:HHDUMDVQUCBCEY-LWQDQPMZSA-N

分子式:C48H30N4O8
分子量:790.788
氢键供体数 (HBD):6
氢键受体数 (HBA):10
LogP:7.5669723
SMILES:OC(=O)c1ccc(cc1)-c1c2ccc(n2)c(-c2ccc(cc2)C(O)=O)c2ccc([nH]2)c(-c2ccc(cc2)C(O)=O)c2ccc(n2)c(-c2ccc(cc2)C(O)=O)c2ccc1[nH]2
SMILES:OC(=O)c1ccc(cc1)-c1c2ccc(n2)c(-c2ccc(cc2)C(O)=O)c2ccc([nH]2)c(-c2ccc(cc2)C(O)=O)c2ccc(n2)c(-c2ccc(cc2)C(O)=O)c2ccc1[nH]2

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