基本情報
- CAS
204906-22-9- 標準SMILES
C1=CC2C=CC1C2.CC(CP(c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1)(CP(c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1)CP(c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1.O=S(=O)([O-])C(F)(F)F.[Rh]- InChIKey
XIIWXRFMUJKTRH-UHFFFAOYSA-M- 分子式
- C55H41F21O3P3RhS-
- 平均分子量
- 1,376.8 g/mol
- 単同位体質量
- 1,376.07089
名称と識別子
- 優先名称
- (Rh(NBD)(CF3PPP))(OTf)
- IUPAC
- bicyclo[2.2.1]hepta-2,5-diene;[3-bis[3-(trifluoromethyl)phenyl]phosphanyl-2-[bis[3-(trifluoromethyl)phenyl]phosphanylmethyl]-2-methylpropyl]-bis[3-(trifluoromethyl)phenyl]phosphane;rhodium;trifluoromethanesulfonate
名称と別名
(Rh(NBD)(CF3PPP))(OTf)204906-22-9[Rh(NBD)(CF3PPP)](OTf)Rhodium(1+), ((2,3,5,6-eta)-bicyclo(2.2.1)hepta-2,5-diene)((2-((bis(3-(trifluoromethyl)phenyl)phosphino-kappaP)methyl)-2-methyl-1,3-propanediyl)bis(bis(3-(trifluoromethyl)phenyl)phosphine-kappaP))-,stereoisomer, salt with trifluoromethanesulfonic acid (1:1)bicyclo[2.2.1]hepta-2,5-diene; [3-bis[3-(trifluoromethyl)phenyl]phosphanyl-2-[bis[3-(trifluoromethyl)phenyl]phosphanylmethyl]-2-methyl-propyl]-bis[3-(trifluoromethyl)phenyl]phosphane; rhodium(1+); trifluoromethanesulfonic acidRhodium(1+), [(2,3,5,6-.eta.)-bicyclo[2.2.1]hepta-2,5-diene][[2-[[bis[3-(trifluoromethyl)phenyl]phosphino-.kappa.P]methyl]-2-methyl-1,3-propanediyl]bis[bis[3-(trifluoromethyl)phenyl]phosphine-.kappa.P]]-,stereoisomer, salt with trifluoromethanesulfonic acid (1:1)
データベース識別子
- CAS
204906-22-9- PubChem CID
- 492250
物性
構造計算による物性
- 極性表面積
- 65.6 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 24
- 回転可能結合数
- 12
- 重原子数
- 84
- 形式電荷
- -1
- 複雑度
- 1,540
関連反応
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