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2-bromo-13,13-dimethyl-6,11-di(phenanthren-9-yl)-11,13-dihydro-6H-indeno[1,2-b]anthracene-6,11-diol 分子结构式
HCID87380870

2-bromo-13,13-dimethyl-6,11-di(phenanthren-9-yl)-11,13-dihydro-6H-indeno[1,2-b]anthracene-6,11-diol

7-bromo-10,10-dimethyl-14,21-di(phenanthren-9-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene-14,21-diol

C51H35BrO2759.7 g/mol
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IDENTITY

结构与身份

标准SMILES
CC1(C)c2cc(Br)ccc2-c2cc3c(cc21)C(O)(c1cc2ccccc2c2ccccc12)c1ccccc1C3(O)c1cc2ccccc2c2ccccc12
InChIKey
IIQDKPBUSLXRQQ-UHFFFAOYSA-N
分子式
C51H35BrO2
平均分子量
759.7 g/mol
单同位素质量
758.18204

COMPUTED

结构计算性质

已同步
XLogP
12.8
极性表面积
40.5 Ų
氢键供体
2
氢键受体
2
可旋转键
2
重原子
54
形式电荷
0
复杂度
1,380

ALIASES

名称与别名

共 3 条
SCHEMBL2381795IIQDKPBUSLXRQQ-UHFFFAOYSA-N2-bromo-13,13-dimethyl-6,11-di(phenanthren-9-yl)-11,13-dihydro-6H-indeno[1,2-b]anthracene-6,11-diol

REACTIONS

参与反应

1 条
HRID 40407 反应方程式

uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08525158B2

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