bis(benzonitrile);[(2S,3S)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane;bis(hexafluoroantimony(1-));palladium(2+)

C42H38F12N2P2PdSb2 — CID 16688910

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+)
• PubChem CID: 16688910
• Molecular Formula: C42H38F12N2P2PdSb2
• Molecular Weight: 1210.64 g/mol
• Exact Mass: 1207.94
• IUPAC Name: bis(benzonitrile);[(2S,3S)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane;bis(hexafluoroantimony(1-));palladium(2+)
• 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]
• 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
• InChIKey: OGDGDKKWRNEAFI-DBJVNSQTSA-B
• XLogP: 13.42
• TPSA: 47.58 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
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'}

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).