Name: Vat Black 8
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT218849096
Cas No:2278-50-4
常用名:Vat Black 8
IUPAC:6,42,48-triazatridecacyclo[25.18.2.1^{39,42}.0^{2,22}.0^{5,21}.0^{7,20}.0^{8,17}.0^{10,15}.0^{24,46}.0^{28,41}.0^{31,40}.0^{33,38}.0^{43,47}]octatetraconta-1(45),2(22),3,5(21),7(20),8(17),10,12,14,18,24(46),25,27(47),28,30,33(38),34,36,39(48),40,43-henicosaene-9,16,23,32-tetrone
IUPAC:6,42,48-triazatridecacyclo[25.18.2.1^{39,42}.0^{2,22}.0^{5,21}.0^{7,20}.0^{8,17}.0^{10,15}.0^{24,46}.0^{28,41}.0^{31,40}.0^{33,38}.0^{43,47}]octatetraconta-1(45),2(22),3,5(21),7(20),8(17),10,12,14,18,24(46),25,27(47),28,30,33(38),34,36,39(48),40,43-henicosaene-9,16,23,32-tetrone
InChI key:VUSWQWZUVYOZAY-UHFFFAOYSA-N

分子式:C45H19N3O4
分子量:665.664
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:O=c1c2ccc3c4c2c(nn4c2ccc4c5ccc6[nH]c7c(ccc8c7c(=O)c7ccccc7c8=O)c6c5c(=O)c5ccc3c2c45)c2ccccc12
SMILES:O=c1c2ccc3c4c2c(nn4c2ccc4c5ccc6[nH]c7c(ccc8c7c(=O)c7ccccc7c8=O)c6c5c(=O)c5ccc3c2c45)c2ccccc12

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