Name: Vat Black 25
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT218849097
Cas No:4395-53-3
常用名:Vat Black 25
IUPAC:24-[(9,10-dioxo-9,10-dihydroanthracen-1-yl)amino]-16-azaoctacyclo[18.10.2.0^{2,15}.0^{5,14}.0^{7,12}.0^{17,31}.0^{21,26}.0^{28,32}]dotriaconta-1(30),2(15),3,5(14),7,9,11,17(31),18,20(32),21(26),22,24,28-tetradecaene-6,13,27-trione
IUPAC:24-[(9,10-dioxo-9,10-dihydroanthracen-1-yl)amino]-16-azaoctacyclo[18.10.2.0^{2,15}.0^{5,14}.0^{7,12}.0^{17,31}.0^{21,26}.0^{28,32}]dotriaconta-1(30),2(15),3,5(14),7,9,11,17(31),18,20(32),21(26),22,24,28-tetradecaene-6,13,27-trione
InChI key:JACFBUVEFBYGAX-UHFFFAOYSA-N

分子式:C45H22N2O5
分子量:670.68
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:O=C1c2ccccc2C(=O)c2c(Nc3ccc4c5ccc6[nH]c7c(ccc8c7c(=O)c7ccccc7c8=O)c7ccc(c5c67)c(=O)c4c3)cccc12
SMILES:O=C1c2ccccc2C(=O)c2c(Nc3ccc4c5ccc6[nH]c7c(ccc8c7c(=O)c7ccccc7c8=O)c7ccc(c5c67)c(=O)c4c3)cccc12

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