HRID 1812461As catalystDataset from `Ultra-high-throughput mapping of the chemical space of asymmetric catalysis enables accelerated reaction discovery`
Basic information
- Standard SMILES
F[P-](F)(F)(F)(F)F.[Ir+3].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc(-c2ccccn2)nc1- InChIKey
RJJGJTKSOSSNNL-UHFFFAOYSA-N- Molecular formula
- C32H24F6IrN4P
- Average molar mass
- 801.7 g/mol
- Monoisotopic mass
- 802.1272
Names & identifiers
- Preferred name
- Iridium(3+);2-phenylpyridine;2-pyridin-2-ylpyridine;hexafluorophosphate
- IUPAC
- iridium(3+);bis(2-phenylpyridine);2-pyridin-2-ylpyridine;hexafluorophosphate
Names & synonyms
SCHEMBL25384664B4893W19685iridium(3+);2-phenylpyridine;2-pyridin-2-ylpyridine;hexafluorophosphateIridium ((2,2-Bipyridine-N,N)bis[2-(2-pyridinyl)phenyl-C,N] Hexaflouorophosphate
Database identifiers
- PubChem CID
- 54589530
Properties
Computed structural properties
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 3
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 711
Related reactions
110 records
HRID 1812462As catalystDataset from `Ultra-high-throughput mapping of the chemical space of asymmetric catalysis enables accelerated reaction discovery`
HRID 1812463As catalystDataset from `Ultra-high-throughput mapping of the chemical space of asymmetric catalysis enables accelerated reaction discovery`
HRID 1812464As catalystDataset from `Ultra-high-throughput mapping of the chemical space of asymmetric catalysis enables accelerated reaction discovery`
HRID 1812465As catalystDataset from `Ultra-high-throughput mapping of the chemical space of asymmetric catalysis enables accelerated reaction discovery`
HRID 1812466As catalystDataset from `Ultra-high-throughput mapping of the chemical space of asymmetric catalysis enables accelerated reaction discovery`
HRID 1812467As catalystDataset from `Ultra-high-throughput mapping of the chemical space of asymmetric catalysis enables accelerated reaction discovery`
HRID 1812468As catalystDataset from `Ultra-high-throughput mapping of the chemical space of asymmetric catalysis enables accelerated reaction discovery`
Linked notes
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