C77H58BF24IrNO2P-
C77H58BF24IrNO2P- · CAS 405235-55-4
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- C77H58BF24IrNO2P-
- CAS
- 405235-55-4
- CID
- 11982488
- IUPAC 名称
- (1Z,5Z)-cycloocta-1,5-diene;iridium;[2-[(4S,5S)-5-methyl-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]-1,3-diphenylpropan-2-yl]oxy-diphenylphosphane;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- C77H58BF24IrNO2P-
- CAS
- 405235-55-4
- CID
- 11982488
- IUPAC 名称
- (1Z,5Z)-cycloocta-1,5-diene;iridium;[2-[(4S,5S)-5-methyl-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]-1,3-diphenylpropan-2-yl]oxy-diphenylphosphane;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
分子属性
- 分子式
- C77H58BF24IrNO2P-
- 分子量
- 1719.3 g/mol
- 精确质量
- 1719.35442 Da
- 单同位素质量
- 1719.35442 Da
- XLogP
- 暂无
- 极性表面积
- 30.8 Ų
- 氢键供体
- 0
- 氢键受体
- 28
- 可旋转键
- 14
- 重原子数
- 107
- 净电荷
- -1
- 结构复杂度
- 1890
结构标识
- InChIKey
- OYQSQQMXRUOJGB-RDSUWHNOSA-N
- SMILES
- [B-](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)(C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)(C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F.C[C@@H]1OC(=N[C@@H]1C(OP(C2=CC=CC=C2)C3=CC=CC=C3)(CC4=CC=CC=C4)CC5=CC=CC=C5)C6=CC=CC=C6.C1/C=C\CC/C=C\C1.[Ir]
- InChI
- InChI=1S/C37H34NO2P.C32H12BF24.C8H12.Ir/c1-29-35(38-36(39-29)32-21-11-4-12-22-32)37(27-30-17-7-2-8-18-30,28-31-19-9-3-10-20-31)40-41(33-23-13-5-14-24-33)34-25-15-6-16-26-34;34-25(35,36)13-1-14(26(37,38)39)6-21(5-13)33(22-7-15(27(40,41)42)2-16(8-22)28(43,44)45,23-9-17(29(46,47)48)3-18(10-23)30(49,50)51)24-11-19(31(52,53)54)4-20(12-24)32(55,56)57;1-2-4-6-8-7-5-3-1;/h2-26,29,35H,27-28H2,1H3;1-12H;1-2,7-8H,3-6H2;/q;-1;;/b;;2-1-,8-7-;/t29-,35-;;;/m0.../s1