dichloromethane;bis(1-(2,4-difluorobenzene-6-id-1-yl)pyrazole);iridium(3+);2-phenyl-6-pyridin-2-ylpyridine;hexafluorophosphate

C35H24Cl2F10IrN6P — CID 139159916

About dichloromethane;bis(1-(2,4-difluorobenzene-6-id-1-yl)pyrazole);iridium(3+);2-phenyl-6-pyridin-2-ylpyridine;hexafluorophosphate

dichloromethane;bis(1-(2,4-difluorobenzene-6-id-1-yl)pyrazole);iridium(3+);2-phenyl-6-pyridin-2-ylpyridine;hexafluorophosphate (PubChem CID 139159916) has the molecular formula C35H24Cl2F10IrN6P and a molecular weight of 1012.70 g/mol. Its IUPAC name is dichloromethane;bis(1-(2,4-difluorobenzene-6-id-1-yl)pyrazole);iridium(3+);2-phenyl-6-pyridin-2-ylpyridine;hexafluorophosphate.

Molecular Properties

• Compound Name: dichloromethane;bis(1-(2,4-difluorobenzene-6-id-1-yl)pyrazole);iridium(3+);2-phenyl-6-pyridin-2-ylpyridine;hexafluorophosphate
• PubChem CID: 139159916
• Molecular Formula: C35H24Cl2F10IrN6P
• Molecular Weight: 1012.70 g/mol
• Exact Mass: 1012.06
• IUPAC Name: dichloromethane;bis(1-(2,4-difluorobenzene-6-id-1-yl)pyrazole);iridium(3+);2-phenyl-6-pyridin-2-ylpyridine;hexafluorophosphate
• SMILES: ClCCl.F[P-](F)(F)(F)(F)F.Fc1c[c-]c(-n2cccn2)c(F)c1.Fc1c[c-]c(-n2cccn2)c(F)c1.[Ir+3].c1ccc(-c2cccc(-c3ccccn3)n2)cc1
• InChI: InChI=1S/C16H12N2.2C9H5F2N2.CH2Cl2.F6P.Ir/c1-2-7-13(8-3-1)14-10-6-11-16(18-14)15-9-4-5-12-17-15;2*10-7-2-3-9(8(11)6-7)13-5-1-4-12-13;2-1-3;1-7(2,3,4,5)6;/h1-12H;2*1-2,4-6H;1H2;;/q;2*-1;;-1;+3
• InChIKey: POTUCDFYXKEXSJ-UHFFFAOYSA-N
• XLogP: 12.51
• TPSA: 61.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1012.70
LogP ≤ 5	12.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dichloromethane;bis(1-(2,4-difluorobenzene-6-id-1-yl)pyrazole);iridium(3+);2-phenyl-6-pyridin-2-ylpyridine;hexafluorophosphate?

The IUPAC name of dichloromethane;bis(1-(2,4-difluorobenzene-6-id-1-yl)pyrazole);iridium(3+);2-phenyl-6-pyridin-2-ylpyridine;hexafluorophosphate (CID 139159916) is dichloromethane;bis(1-(2,4-difluorobenzene-6-id-1-yl)pyrazole);iridium(3+);2-phenyl-6-pyridin-2-ylpyridine;hexafluorophosphate.

What is the SMILES notation for dichloromethane;bis(1-(2,4-difluorobenzene-6-id-1-yl)pyrazole);iridium(3+);2-phenyl-6-pyridin-2-ylpyridine;hexafluorophosphate?

The canonical SMILES for dichloromethane;bis(1-(2,4-difluorobenzene-6-id-1-yl)pyrazole);iridium(3+);2-phenyl-6-pyridin-2-ylpyridine;hexafluorophosphate is ClCCl.F[P-](F)(F)(F)(F)F.Fc1c[c-]c(-n2cccn2)c(F)c1.Fc1c[c-]c(-n2cccn2)c(F)c1.[Ir+3].c1ccc(-c2cccc(-c3ccccn3)n2)cc1.

What is the InChIKey of dichloromethane;bis(1-(2,4-difluorobenzene-6-id-1-yl)pyrazole);iridium(3+);2-phenyl-6-pyridin-2-ylpyridine;hexafluorophosphate?

The InChIKey is POTUCDFYXKEXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2.2C9H5F2N2.CH2Cl2.F6P.Ir/c1-2-7-13(8-3-1)14-10-6-11-16(18-14)15-9-4-5-12-17-15;2*10-7-2-3-9(8(11)6-7)13-5-1-4-12-13;2-1-3;1-7(2,3,4,5)6;/h1-12H;2*1-2,4-6H;1H2;;/q;2*-1;;-1;+3.

What are the key properties of dichloromethane;bis(1-(2,4-difluorobenzene-6-id-1-yl)pyrazole);iridium(3+);2-phenyl-6-pyridin-2-ylpyridine;hexafluorophosphate?

dichloromethane;bis(1-(2,4-difluorobenzene-6-id-1-yl)pyrazole);iridium(3+);2-phenyl-6-pyridin-2-ylpyridine;hexafluorophosphate has a molecular weight of 1012.70 g/mol, XLogP of 12.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for dichloromethane;bis(1-(2,4-difluorobenzene-6-id-1-yl)pyrazole);iridium(3+);2-phenyl-6-pyridin-2-ylpyridine;hexafluorophosphate is sourced from PubChem (CID 139159916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).