bis(2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine);1-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)benzene-2-id-1-yl]-3,5-dimethyl-1,2,4-triazole;2-[3-(2-diphenylphosphaniumylpropan-2-yl)benzene-2-id-1-yl]propan-2-yl-diphenylphosphanium;2,6-di(phenyl)pyridine;tetrakis(iridium(3+));2-(3-phenylbenzene-2-id-1-yl)pyridine;2-[3-(phosphinin-1-ium-2-yl)benzene-2-id-1-yl]phosphinin-1-ium;1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole

C146H110F8Ir4N14P4+4 — CID 158313182

About bis(2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine);1-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)benzene-2-id-1-yl]-3,5-dimethyl-1,2,4-triazole;2-[3-(2-diphenylphosphaniumylpropan-2-yl)benzene-2-id-1-yl]propan-2-yl-diphenylphosphanium;2,6-di(phenyl)pyridine;tetrakis(iridium(3+));2-(3-phenylbenzene-2-id-1-yl)pyridine;2-[3-(phosphinin-1-ium-2-yl)benzene-2-id-1-yl]phosphinin-1-ium;1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole

bis(2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine);1-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)benzene-2-id-1-yl]-3,5-dimethyl-1,2,4-triazole;2-[3-(2-diphenylphosphaniumylpropan-2-yl)benzene-2-id-1-yl]propan-2-yl-diphenylphosphanium;2,6-di(phenyl)pyridine;tetrakis(iridium(3+));2-(3-phenylbenzene-2-id-1-yl)pyridine;2-[3-(phosphinin-1-ium-2-yl)benzene-2-id-1-yl]phosphinin-1-ium;1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole (PubChem CID 158313182) has the molecular formula C146H110F8Ir4N14P4+4 and a molecular weight of 3105.33 g/mol. Its IUPAC name is bis(2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine);1-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)benzene-2-id-1-yl]-3,5-dimethyl-1,2,4-triazole;2-[3-(2-diphenylphosphaniumylpropan-2-yl)benzene-2-id-1-yl]propan-2-yl-diphenylphosphanium;2,6-di(phenyl)pyridine;tetrakis(iridium(3+));2-(3-phenylbenzene-2-id-1-yl)pyridine;2-[3-(phosphinin-1-ium-2-yl)benzene-2-id-1-yl]phosphinin-1-ium;1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole.

Molecular Properties

• Compound Name: bis(2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine);1-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)benzene-2-id-1-yl]-3,5-dimethyl-1,2,4-triazole;2-[3-(2-diphenylphosphaniumylpropan-2-yl)benzene-2-id-1-yl]propan-2-yl-diphenylphosphanium;2,6-di(phenyl)pyridine;tetrakis(iridium(3+));2-(3-phenylbenzene-2-id-1-yl)pyridine;2-[3-(phosphinin-1-ium-2-yl)benzene-2-id-1-yl]phosphinin-1-ium;1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole
• PubChem CID: 158313182
• Molecular Formula: C146H110F8Ir4N14P4+4
• Molecular Weight: 3105.33 g/mol
• Exact Mass: 3106.64
• IUPAC Name: bis(2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine);1-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)benzene-2-id-1-yl]-3,5-dimethyl-1,2,4-triazole;2-[3-(2-diphenylphosphaniumylpropan-2-yl)benzene-2-id-1-yl]propan-2-yl-diphenylphosphanium;2,6-di(phenyl)pyridine;tetrakis(iridium(3+));2-(3-phenylbenzene-2-id-1-yl)pyridine;2-[3-(phosphinin-1-ium-2-yl)benzene-2-id-1-yl]phosphinin-1-ium;1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole
• SMILES: CC(C)(c1[c-]c(C(C)(C)[PH+](c2ccccc2)c2ccccc2)ccc1)[PH+](c1ccccc1)c1ccccc1.Cc1nc(C)n(-c2[c-]c(-n3nc(C)nc3C)ccc2)n1.Fc1c[c-]c(-c2cccc(-c3[c-]cc(F)cc3F)n2)c(F)c1.Fc1c[c-]c(-c2cccc(-c3[c-]cc(F)cc3F)n2)c(F)c1.[Ir+3].[Ir+3].[Ir+3].[Ir+3].[c-]1c(-c2cccc[pH+]2)cccc1-c1cccc[pH+]1.[c-]1c(-n2cccn2)cccc1-n1cccn1.[c-]1ccccc1-c1[c-]c(-c2ccccn2)ccc1.[c-]1ccccc1-c1cccc(-c2[c-]cccc2)n1
• InChI: InChI=1S/C36H35P2.2C17H7F4N.2C17H11N.C16H11P2.C14H15N6.C12H9N4.4Ir/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;2*18-10-4-6-12(14(20)8-10)16-2-1-3-17(22-16)13-7-5-11(19)9-15(13)21;1-3-8-14(9-4-1)16-12-7-13-17(18-16)15-10-5-2-6-11-15;1-2-7-14(8-3-1)15-9-6-10-16(13-15)17-11-4-5-12-18-17;1-3-10-17-15(8-1)13-6-5-7-14(12-13)16-9-2-4-11-18-16;1-9-15-11(3)19(17-9)13-6-5-7-14(8-13)20-12(4)16-10(2)18-20;1-4-11(15-8-2-6-13-15)10-12(5-1)16-9-3-7-14-16;;;;/h5-27H,1-4H3;2*1-5,8-9H;1-8,10,12-13H;1-7,9-12H;1-11H;5-7H,1-4H3;1-9H;;;;/q-1;4*-2;3*-1;4*+3/p+4
• InChIKey: RPGZZXUGQICWPM-UHFFFAOYSA-R
• XLogP: 34.04
• TPSA: 148.62 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 22
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3105.33
LogP ≤ 5	34.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

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 bis(2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine);1-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)benzene-2-id-1-yl]-3,5-dimethyl-1,2,4-triazole;2-[3-(2-diphenylphosphaniumylpropan-2-yl)benzene-2-id-1-yl]propan-2-yl-diphenylphosphanium;2,6-di(phenyl)pyridine;tetrakis(iridium(3+));2-(3-phenylbenzene-2-id-1-yl)pyridine;2-[3-(phosphinin-1-ium-2-yl)benzene-2-id-1-yl]phosphinin-1-ium;1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole?

The IUPAC name of bis(2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine);1-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)benzene-2-id-1-yl]-3,5-dimethyl-1,2,4-triazole;2-[3-(2-diphenylphosphaniumylpropan-2-yl)benzene-2-id-1-yl]propan-2-yl-diphenylphosphanium;2,6-di(phenyl)pyridine;tetrakis(iridium(3+));2-(3-phenylbenzene-2-id-1-yl)pyridine;2-[3-(phosphinin-1-ium-2-yl)benzene-2-id-1-yl]phosphinin-1-ium;1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole (CID 158313182) is bis(2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine);1-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)benzene-2-id-1-yl]-3,5-dimethyl-1,2,4-triazole;2-[3-(2-diphenylphosphaniumylpropan-2-yl)benzene-2-id-1-yl]propan-2-yl-diphenylphosphanium;2,6-di(phenyl)pyridine;tetrakis(iridium(3+));2-(3-phenylbenzene-2-id-1-yl)pyridine;2-[3-(phosphinin-1-ium-2-yl)benzene-2-id-1-yl]phosphinin-1-ium;1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole.

What is the SMILES notation for bis(2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine);1-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)benzene-2-id-1-yl]-3,5-dimethyl-1,2,4-triazole;2-[3-(2-diphenylphosphaniumylpropan-2-yl)benzene-2-id-1-yl]propan-2-yl-diphenylphosphanium;2,6-di(phenyl)pyridine;tetrakis(iridium(3+));2-(3-phenylbenzene-2-id-1-yl)pyridine;2-[3-(phosphinin-1-ium-2-yl)benzene-2-id-1-yl]phosphinin-1-ium;1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole?

The canonical SMILES for bis(2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine);1-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)benzene-2-id-1-yl]-3,5-dimethyl-1,2,4-triazole;2-[3-(2-diphenylphosphaniumylpropan-2-yl)benzene-2-id-1-yl]propan-2-yl-diphenylphosphanium;2,6-di(phenyl)pyridine;tetrakis(iridium(3+));2-(3-phenylbenzene-2-id-1-yl)pyridine;2-[3-(phosphinin-1-ium-2-yl)benzene-2-id-1-yl]phosphinin-1-ium;1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole is CC(C)(c1[c-]c(C(C)(C)[PH+](c2ccccc2)c2ccccc2)ccc1)[PH+](c1ccccc1)c1ccccc1.Cc1nc(C)n(-c2[c-]c(-n3nc(C)nc3C)ccc2)n1.Fc1c[c-]c(-c2cccc(-c3[c-]cc(F)cc3F)n2)c(F)c1.Fc1c[c-]c(-c2cccc(-c3[c-]cc(F)cc3F)n2)c(F)c1.[Ir+3].[Ir+3].[Ir+3].[Ir+3].[c-]1c(-c2cccc[pH+]2)cccc1-c1cccc[pH+]1.[c-]1c(-n2cccn2)cccc1-n1cccn1.[c-]1ccccc1-c1[c-]c(-c2ccccn2)ccc1.[c-]1ccccc1-c1cccc(-c2[c-]cccc2)n1.

What is the InChIKey of bis(2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine);1-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)benzene-2-id-1-yl]-3,5-dimethyl-1,2,4-triazole;2-[3-(2-diphenylphosphaniumylpropan-2-yl)benzene-2-id-1-yl]propan-2-yl-diphenylphosphanium;2,6-di(phenyl)pyridine;tetrakis(iridium(3+));2-(3-phenylbenzene-2-id-1-yl)pyridine;2-[3-(phosphinin-1-ium-2-yl)benzene-2-id-1-yl]phosphinin-1-ium;1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole?

The InChIKey is RPGZZXUGQICWPM-UHFFFAOYSA-R. The full InChI is InChI=1S/C36H35P2.2C17H7F4N.2C17H11N.C16H11P2.C14H15N6.C12H9N4.4Ir/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;2*18-10-4-6-12(14(20)8-10)16-2-1-3-17(22-16)13-7-5-11(19)9-15(13)21;1-3-8-14(9-4-1)16-12-7-13-17(18-16)15-10-5-2-6-11-15;1-2-7-14(8-3-1)15-9-6-10-16(13-15)17-11-4-5-12-18-17;1-3-10-17-15(8-1)13-6-5-7-14(12-13)16-9-2-4-11-18-16;1-9-15-11(3)19(17-9)13-6-5-7-14(8-13)20-12(4)16-10(2)18-20;1-4-11(15-8-2-6-13-15)10-12(5-1)16-9-3-7-14-16;;;;/h5-27H,1-4H3;2*1-5,8-9H;1-8,10,12-13H;1-7,9-12H;1-11H;5-7H,1-4H3;1-9H;;;;/q-1;4*-2;3*-1;4*+3/p+4.

What are the key properties of bis(2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine);1-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)benzene-2-id-1-yl]-3,5-dimethyl-1,2,4-triazole;2-[3-(2-diphenylphosphaniumylpropan-2-yl)benzene-2-id-1-yl]propan-2-yl-diphenylphosphanium;2,6-di(phenyl)pyridine;tetrakis(iridium(3+));2-(3-phenylbenzene-2-id-1-yl)pyridine;2-[3-(phosphinin-1-ium-2-yl)benzene-2-id-1-yl]phosphinin-1-ium;1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole?

bis(2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine);1-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)benzene-2-id-1-yl]-3,5-dimethyl-1,2,4-triazole;2-[3-(2-diphenylphosphaniumylpropan-2-yl)benzene-2-id-1-yl]propan-2-yl-diphenylphosphanium;2,6-di(phenyl)pyridine;tetrakis(iridium(3+));2-(3-phenylbenzene-2-id-1-yl)pyridine;2-[3-(phosphinin-1-ium-2-yl)benzene-2-id-1-yl]phosphinin-1-ium;1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole has a molecular weight of 3105.33 g/mol, XLogP of 34.04, 22 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine);1-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)benzene-2-id-1-yl]-3,5-dimethyl-1,2,4-triazole;2-[3-(2-diphenylphosphaniumylpropan-2-yl)benzene-2-id-1-yl]propan-2-yl-diphenylphosphanium;2,6-di(phenyl)pyridine;tetrakis(iridium(3+));2-(3-phenylbenzene-2-id-1-yl)pyridine;2-[3-(phosphinin-1-ium-2-yl)benzene-2-id-1-yl]phosphinin-1-ium;1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole is sourced from PubChem (CID 158313182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).