2,6-bis(2-pyridin-2-ylpropan-2-yl)pyridine;1-(2,4-difluoro-5-pyrazol-1-ylbenzene-6-id-1-yl)pyrazole;2-[3-(2-diphenylphosphaniumylpropan-2-yl)benzene-2-id-1-yl]propan-2-yl-diphenylphosphanium;bis(2,6-di(phenyl)pyridine);bis(iridium(3+));2-[3-(phosphinin-1-ium-2-yl)benzene-2-id-1-yl]phosphinin-1-ium;rhenium

C119H102F2Ir2N9P4Re+3 — CID 159868711

About 2,6-bis(2-pyridin-2-ylpropan-2-yl)pyridine;1-(2,4-difluoro-5-pyrazol-1-ylbenzene-6-id-1-yl)pyrazole;2-[3-(2-diphenylphosphaniumylpropan-2-yl)benzene-2-id-1-yl]propan-2-yl-diphenylphosphanium;bis(2,6-di(phenyl)pyridine);bis(iridium(3+));2-[3-(phosphinin-1-ium-2-yl)benzene-2-id-1-yl]phosphinin-1-ium;rhenium

2,6-bis(2-pyridin-2-ylpropan-2-yl)pyridine;1-(2,4-difluoro-5-pyrazol-1-ylbenzene-6-id-1-yl)pyrazole;2-[3-(2-diphenylphosphaniumylpropan-2-yl)benzene-2-id-1-yl]propan-2-yl-diphenylphosphanium;bis(2,6-di(phenyl)pyridine);bis(iridium(3+));2-[3-(phosphinin-1-ium-2-yl)benzene-2-id-1-yl]phosphinin-1-ium;rhenium (PubChem CID 159868711) has the molecular formula C119H102F2Ir2N9P4Re+3 and a molecular weight of 2390.72 g/mol. Its IUPAC name is 2,6-bis(2-pyridin-2-ylpropan-2-yl)pyridine;1-(2,4-difluoro-5-pyrazol-1-ylbenzene-6-id-1-yl)pyrazole;2-[3-(2-diphenylphosphaniumylpropan-2-yl)benzene-2-id-1-yl]propan-2-yl-diphenylphosphanium;bis(2,6-di(phenyl)pyridine);bis(iridium(3+));2-[3-(phosphinin-1-ium-2-yl)benzene-2-id-1-yl]phosphinin-1-ium;rhenium.

Molecular Properties

• Compound Name: 2,6-bis(2-pyridin-2-ylpropan-2-yl)pyridine;1-(2,4-difluoro-5-pyrazol-1-ylbenzene-6-id-1-yl)pyrazole;2-[3-(2-diphenylphosphaniumylpropan-2-yl)benzene-2-id-1-yl]propan-2-yl-diphenylphosphanium;bis(2,6-di(phenyl)pyridine);bis(iridium(3+));2-[3-(phosphinin-1-ium-2-yl)benzene-2-id-1-yl]phosphinin-1-ium;rhenium
• PubChem CID: 159868711
• Molecular Formula: C119H102F2Ir2N9P4Re+3
• Molecular Weight: 2390.72 g/mol
• Exact Mass: 2391.60
• IUPAC Name: 2,6-bis(2-pyridin-2-ylpropan-2-yl)pyridine;1-(2,4-difluoro-5-pyrazol-1-ylbenzene-6-id-1-yl)pyrazole;2-[3-(2-diphenylphosphaniumylpropan-2-yl)benzene-2-id-1-yl]propan-2-yl-diphenylphosphanium;bis(2,6-di(phenyl)pyridine);bis(iridium(3+));2-[3-(phosphinin-1-ium-2-yl)benzene-2-id-1-yl]phosphinin-1-ium;rhenium
• SMILES: CC(C)(c1[c-]c(C(C)(C)[PH+](c2ccccc2)c2ccccc2)ccc1)[PH+](c1ccccc1)c1ccccc1.CC(C)(c1ccccn1)c1cccc(C(C)(C)c2ccccn2)n1.Fc1cc(F)c(-n2cccn2)[c-]c1-n1cccn1.[Ir+3].[Ir+3].[Re].[c-]1c(-c2cccc[pH+]2)cccc1-c1cccc[pH+]1.[c-]1ccccc1-c1cccc(-c2[c-]cccc2)n1.[c-]1ccccc1-c1cccc(-c2[c-]cccc2)n1
• InChI: InChI=1S/C36H35P2.C21H23N3.2C17H11N.C16H11P2.C12H7F2N4.2Ir.Re/c1-35(2,37(31-20-9-5-10-21-31)32-22-11-6-12-23-32)29-18-17-19-30(28-29)36(3,4)38(33-24-13-7-14-25-33)34-26-15-8-16-27-34;1-20(2,16-10-5-7-14-22-16)18-12-9-13-19(24-18)21(3,4)17-11-6-8-15-23-17;2*1-3-8-14(9-4-1)16-12-7-13-17(18-16)15-10-5-2-6-11-15;1-3-10-17-15(8-1)13-6-5-7-14(12-13)16-9-2-4-11-18-16;13-9-7-10(14)12(18-6-2-4-16-18)8-11(9)17-5-1-3-15-17;;;/h5-27H,1-4H3;5-15H,1-4H3;2*1-8,10,12-13H;1-11H;1-7H;;;/q-1;;2*-2;2*-1;2*+3;/p+4
• InChIKey: DWDNGRKUTQHOQM-UHFFFAOYSA-R
• XLogP: 27.82
• TPSA: 100.09 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 20
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2390.72
LogP ≤ 5	27.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(2-pyridin-2-ylpropan-2-yl)pyridine;1-(2,4-difluoro-5-pyrazol-1-ylbenzene-6-id-1-yl)pyrazole;2-[3-(2-diphenylphosphaniumylpropan-2-yl)benzene-2-id-1-yl]propan-2-yl-diphenylphosphanium;bis(2,6-di(phenyl)pyridine);bis(iridium(3+));2-[3-(phosphinin-1-ium-2-yl)benzene-2-id-1-yl]phosphinin-1-ium;rhenium?

The IUPAC name of 2,6-bis(2-pyridin-2-ylpropan-2-yl)pyridine;1-(2,4-difluoro-5-pyrazol-1-ylbenzene-6-id-1-yl)pyrazole;2-[3-(2-diphenylphosphaniumylpropan-2-yl)benzene-2-id-1-yl]propan-2-yl-diphenylphosphanium;bis(2,6-di(phenyl)pyridine);bis(iridium(3+));2-[3-(phosphinin-1-ium-2-yl)benzene-2-id-1-yl]phosphinin-1-ium;rhenium (CID 159868711) is 2,6-bis(2-pyridin-2-ylpropan-2-yl)pyridine;1-(2,4-difluoro-5-pyrazol-1-ylbenzene-6-id-1-yl)pyrazole;2-[3-(2-diphenylphosphaniumylpropan-2-yl)benzene-2-id-1-yl]propan-2-yl-diphenylphosphanium;bis(2,6-di(phenyl)pyridine);bis(iridium(3+));2-[3-(phosphinin-1-ium-2-yl)benzene-2-id-1-yl]phosphinin-1-ium;rhenium.

What is the SMILES notation for 2,6-bis(2-pyridin-2-ylpropan-2-yl)pyridine;1-(2,4-difluoro-5-pyrazol-1-ylbenzene-6-id-1-yl)pyrazole;2-[3-(2-diphenylphosphaniumylpropan-2-yl)benzene-2-id-1-yl]propan-2-yl-diphenylphosphanium;bis(2,6-di(phenyl)pyridine);bis(iridium(3+));2-[3-(phosphinin-1-ium-2-yl)benzene-2-id-1-yl]phosphinin-1-ium;rhenium?

The canonical SMILES for 2,6-bis(2-pyridin-2-ylpropan-2-yl)pyridine;1-(2,4-difluoro-5-pyrazol-1-ylbenzene-6-id-1-yl)pyrazole;2-[3-(2-diphenylphosphaniumylpropan-2-yl)benzene-2-id-1-yl]propan-2-yl-diphenylphosphanium;bis(2,6-di(phenyl)pyridine);bis(iridium(3+));2-[3-(phosphinin-1-ium-2-yl)benzene-2-id-1-yl]phosphinin-1-ium;rhenium is CC(C)(c1[c-]c(C(C)(C)[PH+](c2ccccc2)c2ccccc2)ccc1)[PH+](c1ccccc1)c1ccccc1.CC(C)(c1ccccn1)c1cccc(C(C)(C)c2ccccn2)n1.Fc1cc(F)c(-n2cccn2)[c-]c1-n1cccn1.[Ir+3].[Ir+3].[Re].[c-]1c(-c2cccc[pH+]2)cccc1-c1cccc[pH+]1.[c-]1ccccc1-c1cccc(-c2[c-]cccc2)n1.[c-]1ccccc1-c1cccc(-c2[c-]cccc2)n1.

What is the InChIKey of 2,6-bis(2-pyridin-2-ylpropan-2-yl)pyridine;1-(2,4-difluoro-5-pyrazol-1-ylbenzene-6-id-1-yl)pyrazole;2-[3-(2-diphenylphosphaniumylpropan-2-yl)benzene-2-id-1-yl]propan-2-yl-diphenylphosphanium;bis(2,6-di(phenyl)pyridine);bis(iridium(3+));2-[3-(phosphinin-1-ium-2-yl)benzene-2-id-1-yl]phosphinin-1-ium;rhenium?

The InChIKey is DWDNGRKUTQHOQM-UHFFFAOYSA-R. The full InChI is InChI=1S/C36H35P2.C21H23N3.2C17H11N.C16H11P2.C12H7F2N4.2Ir.Re/c1-35(2,37(31-20-9-5-10-21-31)32-22-11-6-12-23-32)29-18-17-19-30(28-29)36(3,4)38(33-24-13-7-14-25-33)34-26-15-8-16-27-34;1-20(2,16-10-5-7-14-22-16)18-12-9-13-19(24-18)21(3,4)17-11-6-8-15-23-17;2*1-3-8-14(9-4-1)16-12-7-13-17(18-16)15-10-5-2-6-11-15;1-3-10-17-15(8-1)13-6-5-7-14(12-13)16-9-2-4-11-18-16;13-9-7-10(14)12(18-6-2-4-16-18)8-11(9)17-5-1-3-15-17;;;/h5-27H,1-4H3;5-15H,1-4H3;2*1-8,10,12-13H;1-11H;1-7H;;;/q-1;;2*-2;2*-1;2*+3;/p+4.

What are the key properties of 2,6-bis(2-pyridin-2-ylpropan-2-yl)pyridine;1-(2,4-difluoro-5-pyrazol-1-ylbenzene-6-id-1-yl)pyrazole;2-[3-(2-diphenylphosphaniumylpropan-2-yl)benzene-2-id-1-yl]propan-2-yl-diphenylphosphanium;bis(2,6-di(phenyl)pyridine);bis(iridium(3+));2-[3-(phosphinin-1-ium-2-yl)benzene-2-id-1-yl]phosphinin-1-ium;rhenium?

2,6-bis(2-pyridin-2-ylpropan-2-yl)pyridine;1-(2,4-difluoro-5-pyrazol-1-ylbenzene-6-id-1-yl)pyrazole;2-[3-(2-diphenylphosphaniumylpropan-2-yl)benzene-2-id-1-yl]propan-2-yl-diphenylphosphanium;bis(2,6-di(phenyl)pyridine);bis(iridium(3+));2-[3-(phosphinin-1-ium-2-yl)benzene-2-id-1-yl]phosphinin-1-ium;rhenium has a molecular weight of 2390.72 g/mol, XLogP of 27.82, 20 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-bis(2-pyridin-2-ylpropan-2-yl)pyridine;1-(2,4-difluoro-5-pyrazol-1-ylbenzene-6-id-1-yl)pyrazole;2-[3-(2-diphenylphosphaniumylpropan-2-yl)benzene-2-id-1-yl]propan-2-yl-diphenylphosphanium;bis(2,6-di(phenyl)pyridine);bis(iridium(3+));2-[3-(phosphinin-1-ium-2-yl)benzene-2-id-1-yl]phosphinin-1-ium;rhenium is sourced from PubChem (CID 159868711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).