About bis(benzonitrile);[(2S,3S)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane;bis(hexafluoroantimony(1-));palladium(2+)
bis(benzonitrile);[(2S,3S)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane;bis(hexafluoroantimony(1-));palladium(2+) (PubChem CID 16688910) has the molecular formula C42H38F12N2P2PdSb2
and a molecular weight of 1210.64 g/mol. Its IUPAC name is bis(benzonitrile);[(2S,3S)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane;bis(hexafluoroantimony(1-));palladium(2+).
Molecular Properties
| Compound Name | bis(benzonitrile);[(2S,3S)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane;bis(hexafluoroantimony(1-));palladium(2+) |
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| PubChem CID | 16688910 |
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| Molecular Formula | C42H38F12N2P2PdSb2 |
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| Molecular Weight | 1210.64 g/mol |
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| Exact Mass | 1207.94 |
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| IUPAC Name | bis(benzonitrile);[(2S,3S)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane;bis(hexafluoroantimony(1-));palladium(2+) |
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| SMILES | C[C@@H]([C@H](C)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.F[Sb-](F)(F)(F)(F)F.F[Sb-](F)(F)(F)(F)F.N#Cc1ccccc1.N#Cc1ccccc1.[Pd+2] |
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| InChI | InChI=1S/C28H28P2.2C7H5N.12FH.Pd.2Sb/c1-23(29(25-15-7-3-8-16-25)26-17-9-4-10-18-26)24(2)30(27-19-11-5-12-20-27)28-21-13-6-14-22-28;2*8-6-7-4-2-1-3-5-7;;;;;;;;;;;;;;;/h3-24H,1-2H3;2*1-5H;12*1H;;;/q;;;;;;;;;;;;;;;+2;2*+5/p-12/t23-,24-;;;;;;;;;;;;;;;;;/m0................./s1 |
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| InChIKey | OGDGDKKWRNEAFI-DBJVNSQTSA-B |
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| XLogP | 13.42 |
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| TPSA | 47.58 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 61 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 1210.64 |
| LogP ≤ 5 | 13.42 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of bis(benzonitrile);[(2S,3S)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane;bis(hexafluoroantimony(1-));palladium(2+)?
The IUPAC name of bis(benzonitrile);[(2S,3S)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane;bis(hexafluoroantimony(1-));palladium(2+) (CID 16688910) is bis(benzonitrile);[(2S,3S)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane;bis(hexafluoroantimony(1-));palladium(2+).
What is the SMILES notation for bis(benzonitrile);[(2S,3S)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane;bis(hexafluoroantimony(1-));palladium(2+)?
The canonical SMILES for bis(benzonitrile);[(2S,3S)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane;bis(hexafluoroantimony(1-));palladium(2+) is C[C@@H]([C@H](C)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.F[Sb-](F)(F)(F)(F)F.F[Sb-](F)(F)(F)(F)F.N#Cc1ccccc1.N#Cc1ccccc1.[Pd+2].
What is the InChIKey of bis(benzonitrile);[(2S,3S)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane;bis(hexafluoroantimony(1-));palladium(2+)?
The InChIKey is OGDGDKKWRNEAFI-DBJVNSQTSA-B. The full InChI is InChI=1S/C28H28P2.2C7H5N.12FH.Pd.2Sb/c1-23(29(25-15-7-3-8-16-25)26-17-9-4-10-18-26)24(2)30(27-19-11-5-12-20-27)28-21-13-6-14-22-28;2*8-6-7-4-2-1-3-5-7;;;;;;;;;;;;;;;/h3-24H,1-2H3;2*1-5H;12*1H;;;/q;;;;;;;;;;;;;;;+2;2*+5/p-12/t23-,24-;;;;;;;;;;;;;;;;;/m0................./s1.
What are the key properties of bis(benzonitrile);[(2S,3S)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane;bis(hexafluoroantimony(1-));palladium(2+)?
bis(benzonitrile);[(2S,3S)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane;bis(hexafluoroantimony(1-));palladium(2+) has a molecular weight of 1210.64 g/mol, XLogP of 13.42, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(benzonitrile);[(2S,3S)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane;bis(hexafluoroantimony(1-));palladium(2+) is sourced from PubChem (CID 16688910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).