Name: Tetramesitylporphyrin
Rating: 5 (10 reviews)

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sdf 文件

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HIT ID:HIT103145772
Cas No:56396-12-4
常用名:Tetramesitylporphyrin
IUPAC:2,7,12,17-tetrakis(2,4,6-trimethylphenyl)-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaene
IUPAC:2,7,12,17-tetrakis(2,4,6-trimethylphenyl)-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaene
InChI key:KBIOUJDBIXSYJT-RNWYWIMESA-N

分子式:C56H54N4
分子量:783.076
氢键供体数 (HBD):2
氢键受体数 (HBA):2
LogP:17.382037342
SMILES:Cc1cc(C)c(c(C)c1)-c1c2ccc(n2)c(-c2c(C)cc(C)cc2C)c2ccc([nH]2)c(-c2c(C)cc(C)cc2C)c2ccc(n2)c(-c2c(C)cc(C)cc2C)c2ccc1[nH]2
SMILES:Cc1cc(C)c(c(C)c1)-c1c2ccc(n2)c(-c2c(C)cc(C)cc2C)c2ccc([nH]2)c(-c2c(C)cc(C)cc2C)c2ccc(n2)c(-c2c(C)cc(C)cc2C)c2ccc1[nH]2

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