基本情報
- CAS
121629-76-3- 標準SMILES
C1=CC2C=CC1C2.CC(CP(c1ccccc1)c1ccccc1)(CP(c1ccccc1)c1ccccc1)CP(c1ccccc1)c1ccccc1.O=S(=O)([O-])C(F)(F)F.[Rh]- InChIKey
GJXYBTJIGWNUGH-UHFFFAOYSA-M- 分子式
- C49H47F3O3P3RhS-
- 平均分子量
- 968.8 g/mol
- 単同位体質量
- 968.14658
名称と識別子
- 優先名称
- (Rh(NBD)(PPP))(OTf)
- IUPAC
- bicyclo[2.2.1]hepta-2,5-diene;[3-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-2-methylpropyl]-diphenylphosphane;rhodium;trifluoromethanesulfonate
名称と別名
(Rh(NBD)(PPP))(OTf)121629-76-3[Rh(NBD)(PPP)](OTf)SCHEMBL29384044Rhodium(1 ), ((2,3,5,6-eta)-bicyclo(2.2.1)hepta-2,5-diene)((2-((diphenylphosphino)methyl)-2-methyl-1,3-propanediyl)bis(diphenylphosphine)-P,P',P'')-, stereoisomer, salt with trifluoromethanesulfonic acid (1:1)Rhodium(1 ), ((2,3,5,6-eta)-bicyclo(2.2.1)hepta-2,5-diene)((2-((diphenylphosphino-kappaP)methyl)-2-methyl-1,3-propanediyl)bis(diphenylphosphine-.kappa.P))-, stereoisomer, salt with trifluoromethanesulfonic acid (1:1)bicyclo[2.2.1]hepta-2,5-diene; [3-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-2-methyl-propyl]-diphenyl-phosphane; rhodium(1+); trifluoromethanesulfonic acidRhodium(1+), ((2,3,5,6-eta)-bicyclo(2.2.1)hepta-2,5-diene)((2-((diphenylphosphino-kappaP)methyl)-2-methyl-1,3-propanediyl)bis(diphenylphosphine-kappaP))-, stereoisomer, salt with trifluoromethanesulfonic acid (1:1)Rhodium(1+), [(2,3,5,6-.eta.)-bicyclo[2.2.1]hepta-2,5-diene][[2-[(diphenylphosphino-.kappa.P)methyl]-2-methyl-1,3-propanediyl]bis[diphenylphosphine-.kappa.P]]-, stereoisomer, salt with trifluoromethanesulfonic acid (1:1)
データベース識別子
- CAS
121629-76-3
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
- 6
- 回転可能結合数
- 12
- 重原子数
- 60
- 形式電荷
- -1
- 複雑度
- 867
関連反応
0 件
現在のフィルター条件では反応記録がありません。
化合物ノート
読み込み中…