基本情報
- CAS
207747-27-1- 標準SMILES
CC#N.CC#N.CC#N.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.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ir+3]- InChIKey
AKECMOPXYKFCNF-UHFFFAOYSA-K- 分子式
- C56H42F27IrN3O9P3S3
- 平均分子量
- 1,795.2 g/mol
- 単同位体質量
- 1,795.04941
名称と識別子
- 優先名称
- (Ir(MeCN)3(CF3PPP))(OTf)3
- IUPAC
- tris(acetonitrile);[3-bis[3-(trifluoromethyl)phenyl]phosphanyl-2-[bis[3-(trifluoromethyl)phenyl]phosphanylmethyl]-2-methylpropyl]-bis[3-(trifluoromethyl)phenyl]phosphane;iridium(3+);tris(trifluoromethanesulfonate)
名称と別名
(Ir(MeCN)3(CF3PPP))(OTf)3207747-27-1[Ir(MeCN)3(CF3PPP)](OTf)3Iridium(3+), tris(acetonitrile)((2-((bis(3-(trifluoromethyl)phenyl)phosphino-kappaP)methyl)-2-methyl-1,3-propanediyl)bis(bis(3-(trifluoromethyl)phenyl)phosphine-kappaP))-, (OC-6-22)-, salt with trifluoromethanesulfonic acid (1:3)acetonitrile; [3-bis[3-(trifluoromethyl)phenyl]phosphanyl-2-[bis[3-(trifluoromethyl)phenyl]phosphanylmethyl]-2-methyl-propyl]-bis[3-(trifluoromethyl)phenyl]phosphane; iridium(3+); trifluoromethanesulfonic acidDTXSID60174852Iridium(3+), tris(acetonitrile)[[2-[[bis[3-(trifluoromethyl)phenyl]phosphino-.kappa.P]methyl]-2-methyl-1,3-propanediyl]bis[bis[3- (trifluoromethyl)phenyl]phosphine-.kappa.P]]-, (OC-6-22)-, salt with trifluoromethanesulfonic acid (1:3)
データベース識別子
- CAS
207747-27-1- PubChem CID
- 492268
- DTXSID
DTXSID60174852
物性
構造計算による物性
- 極性表面積
- 268 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 39
- 回転可能結合数
- 12
- 重原子数
- 102
- 形式電荷
- 0
- 複雑度
- 1,470
関連反応
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