HRID 1812461触媒としてDataset from `Ultra-high-throughput mapping of the chemical space of asymmetric catalysis enables accelerated reaction discovery`
基本情報
- 標準SMILES
F[P-](F)(F)(F)(F)F.[Ir+3].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc(-c2ccccn2)nc1- InChIKey
RJJGJTKSOSSNNL-UHFFFAOYSA-N- 分子式
- C32H24F6IrN4P
- 平均分子量
- 801.7 g/mol
- 単同位体質量
- 802.1272
名称と識別子
- 優先名称
- Iridium(3+);2-phenylpyridine;2-pyridin-2-ylpyridine;hexafluorophosphate
- IUPAC
- iridium(3+);bis(2-phenylpyridine);2-pyridin-2-ylpyridine;hexafluorophosphate
名称と別名
SCHEMBL25384664B4893W19685iridium(3+);2-phenylpyridine;2-pyridin-2-ylpyridine;hexafluorophosphateIridium ((2,2-Bipyridine-N,N)bis[2-(2-pyridinyl)phenyl-C,N] Hexaflouorophosphate
データベース識別子
- PubChem CID
- 54589530
物性
構造計算による物性
- 極性表面積
- 51.6 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 13
- 回転可能結合数
- 3
- 重原子数
- 44
- 形式電荷
- 0
- 複雑度
- 711
関連反応
110 件
HRID 1812462触媒としてDataset from `Ultra-high-throughput mapping of the chemical space of asymmetric catalysis enables accelerated reaction discovery`
HRID 1812463触媒としてDataset from `Ultra-high-throughput mapping of the chemical space of asymmetric catalysis enables accelerated reaction discovery`
HRID 1812464触媒としてDataset from `Ultra-high-throughput mapping of the chemical space of asymmetric catalysis enables accelerated reaction discovery`
HRID 1812465触媒としてDataset from `Ultra-high-throughput mapping of the chemical space of asymmetric catalysis enables accelerated reaction discovery`
HRID 1812466触媒としてDataset from `Ultra-high-throughput mapping of the chemical space of asymmetric catalysis enables accelerated reaction discovery`
HRID 1812467触媒としてDataset from `Ultra-high-throughput mapping of the chemical space of asymmetric catalysis enables accelerated reaction discovery`
HRID 1812468触媒としてDataset from `Ultra-high-throughput mapping of the chemical space of asymmetric catalysis enables accelerated reaction discovery`
関連ノート
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