9-(2-乙基己基)-3,6-双(4,4,5,5-四甲基-1,3,2-二噁硼烷-2-基)-9H-咔唑 | 448955-87-1
9-(2-乙基己基)-3,6-双(4,4,5,5-四甲基-1,3,2-二噁硼烷-2-基)-9H-咔唑
9-(2-Ethylhexyl)-3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole
448955-87-1
C32H47B2NO4
531.3419
名称和标识符
| MDL |
MFCD23703115 |
| InChIKey |
GSIDPIRTFOJNFV-UHFFFAOYSA-N |
| Inchi |
1S/C32H47B2NO4/c1-11-13-14-22(12-2)21-35-27-17-15-23(33-36-29(3,4)30(5,6)37-33)19-25(27)26-20-24(16-18-28(26)35)34-38-31(7,8)32(9,10)39-34/h15-20,22H,11-14,21H2,1-10H3 |
| SMILES |
O1B(C2C([H])=C([H])C3=C(C=2[H])C2C([H])=C(B4OC(C([H])([H])[H])(C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])O4)C([H])=C([H])C=2N3C([H])([H])C([H])(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])OC(C([H])([H])[H])(C([H])([H])[H])C1(C([H])([H])[H])C([H])([H])[H] |
别名信息
- 中文别名 -
- 9-(2-乙基己基)-3,6-双(4,4,5,5-四甲基-1,3,2-二噁硼烷-2-基)-9H-咔唑
- 英文别名 -
- 9-(2-Ethylhexyl)-3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole
- 9-(2-ethylhexyl)-3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
- AK123232
- 6194AB
- AX8247410
- ST24045839
- 3,6-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)-9-(2-ethylhexyl)-9H-carbazole
- 9-(2-Ethylhexyl)-3,6-bis(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-9H-carbazole
- 3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9-(2
物化性质
计算特性
| 氢键供体数量 |
0 |
| 氢键受体数量 |
4 |
| 可旋转化学键数量 |
8 |
| 重原子数量 |
39 |
| 复杂度 |
771 |
| 拓扑分子极性表面积 |
41.8 |
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