2-(2,4-difluorobenzene-6-id-1-yl)-6-phenylpyridine;6-(2,4-difluorobenzene-6-id-1-yl)pyridine-2-carboxylic acid;tris(2-(2,4-dimethyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);2,6-di(phenyl)pyridine;tris(iridium);bis(iridium(3+));6-phenylpyridine-2-carboxylic acid;(6-phenyl-2-pyridinyl)methanol;bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine)

C156H111F4Ir5N15O5-6 — CID 157289504

About 2-(2,4-difluorobenzene-6-id-1-yl)-6-phenylpyridine;6-(2,4-difluorobenzene-6-id-1-yl)pyridine-2-carboxylic acid;tris(2-(2,4-dimethyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);2,6-di(phenyl)pyridine;tris(iridium);bis(iridium(3+));6-phenylpyridine-2-carboxylic acid;(6-phenyl-2-pyridinyl)methanol;bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine)

2-(2,4-difluorobenzene-6-id-1-yl)-6-phenylpyridine;6-(2,4-difluorobenzene-6-id-1-yl)pyridine-2-carboxylic acid;tris(2-(2,4-dimethyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);2,6-di(phenyl)pyridine;tris(iridium);bis(iridium(3+));6-phenylpyridine-2-carboxylic acid;(6-phenyl-2-pyridinyl)methanol;bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine) (PubChem CID 157289504) has the molecular formula C156H111F4Ir5N15O5-6 and a molecular weight of 3312.78 g/mol. Its IUPAC name is 2-(2,4-difluorobenzene-6-id-1-yl)-6-phenylpyridine;6-(2,4-difluorobenzene-6-id-1-yl)pyridine-2-carboxylic acid;tris(2-(2,4-dimethyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);2,6-di(phenyl)pyridine;tris(iridium);bis(iridium(3+));6-phenylpyridine-2-carboxylic acid;(6-phenyl-2-pyridinyl)methanol;bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine).

Molecular Properties

• Compound Name: 2-(2,4-difluorobenzene-6-id-1-yl)-6-phenylpyridine;6-(2,4-difluorobenzene-6-id-1-yl)pyridine-2-carboxylic acid;tris(2-(2,4-dimethyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);2,6-di(phenyl)pyridine;tris(iridium);bis(iridium(3+));6-phenylpyridine-2-carboxylic acid;(6-phenyl-2-pyridinyl)methanol;bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine)
• PubChem CID: 157289504
• Molecular Formula: C156H111F4Ir5N15O5-6
• Molecular Weight: 3312.78 g/mol
• Exact Mass: 3314.70
• IUPAC Name: 2-(2,4-difluorobenzene-6-id-1-yl)-6-phenylpyridine;6-(2,4-difluorobenzene-6-id-1-yl)pyridine-2-carboxylic acid;tris(2-(2,4-dimethyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);2,6-di(phenyl)pyridine;tris(iridium);bis(iridium(3+));6-phenylpyridine-2-carboxylic acid;(6-phenyl-2-pyridinyl)methanol;bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine)
• SMILES: Cc1cc(C)c(-c2ccccn2)[c-]c1-c1ccccn1.Cc1cc(C)c(-c2ccccn2)[c-]c1-c1ccccn1.Cc1cc(C)c(-c2ccccn2)[c-]c1-c1ccccn1.Fc1c[c-]c(-c2cccc(-c3[c-]cccc3)n2)c(F)c1.O=C(O)c1cccc(-c2[c-]cc(F)cc2F)n1.O=C(O)c1cccc(-c2[c-]cccc2)n1.OCc1cccc(-c2[c-]cccc2)n1.[Ir+3].[Ir+3].[Ir].[Ir].[Ir].[c-]1c(-c2ccccn2)cccc1-c1ccccn1.[c-]1c(-c2ccccn2)cccc1-c1ccccn1.[c-]1ccccc1-c1cccc(-c2[c-]cccc2)n1
• InChI: InChI=1S/3C18H15N2.C17H9F2N.C17H11N.2C16H11N2.C12H6F2NO2.C12H8NO2.C12H10NO.5Ir/c3*1-13-11-14(2)16(18-8-4-6-10-20-18)12-15(13)17-7-3-5-9-19-17;18-13-9-10-14(15(19)11-13)17-8-4-7-16(20-17)12-5-2-1-3-6-12;1-3-8-14(9-4-1)16-12-7-13-17(18-16)15-10-5-2-6-11-15;2*1-3-10-17-15(8-1)13-6-5-7-14(12-13)16-9-2-4-11-18-16;13-7-4-5-8(9(14)6-7)10-2-1-3-11(15-10)12(16)17;14-12(15)11-8-4-7-10(13-11)9-5-2-1-3-6-9;14-9-11-7-4-8-12(13-11)10-5-2-1-3-6-10;;;;;/h3*3-11H,1-2H3;1-5,7-9,11H;1-8,10,12-13H;2*1-11H;1-4,6H,(H,16,17);1-5,7-8H,(H,14,15);1-5,7-8,14H,9H2;;;;;/q3*-1;2*-2;5*-1;;;;2*+3
• InChIKey: KZYMGCIQMNVTME-UHFFFAOYSA-N
• XLogP: 35.02
• TPSA: 288.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 20
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3312.78
LogP ≤ 5	35.02
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)-6-phenylpyridine;6-(2,4-difluorobenzene-6-id-1-yl)pyridine-2-carboxylic acid;tris(2-(2,4-dimethyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);2,6-di(phenyl)pyridine;tris(iridium);bis(iridium(3+));6-phenylpyridine-2-carboxylic acid;(6-phenyl-2-pyridinyl)methanol;bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine)?

The IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)-6-phenylpyridine;6-(2,4-difluorobenzene-6-id-1-yl)pyridine-2-carboxylic acid;tris(2-(2,4-dimethyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);2,6-di(phenyl)pyridine;tris(iridium);bis(iridium(3+));6-phenylpyridine-2-carboxylic acid;(6-phenyl-2-pyridinyl)methanol;bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine) (CID 157289504) is 2-(2,4-difluorobenzene-6-id-1-yl)-6-phenylpyridine;6-(2,4-difluorobenzene-6-id-1-yl)pyridine-2-carboxylic acid;tris(2-(2,4-dimethyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);2,6-di(phenyl)pyridine;tris(iridium);bis(iridium(3+));6-phenylpyridine-2-carboxylic acid;(6-phenyl-2-pyridinyl)methanol;bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine).

What is the SMILES notation for 2-(2,4-difluorobenzene-6-id-1-yl)-6-phenylpyridine;6-(2,4-difluorobenzene-6-id-1-yl)pyridine-2-carboxylic acid;tris(2-(2,4-dimethyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);2,6-di(phenyl)pyridine;tris(iridium);bis(iridium(3+));6-phenylpyridine-2-carboxylic acid;(6-phenyl-2-pyridinyl)methanol;bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine)?

The canonical SMILES for 2-(2,4-difluorobenzene-6-id-1-yl)-6-phenylpyridine;6-(2,4-difluorobenzene-6-id-1-yl)pyridine-2-carboxylic acid;tris(2-(2,4-dimethyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);2,6-di(phenyl)pyridine;tris(iridium);bis(iridium(3+));6-phenylpyridine-2-carboxylic acid;(6-phenyl-2-pyridinyl)methanol;bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine) is Cc1cc(C)c(-c2ccccn2)[c-]c1-c1ccccn1.Cc1cc(C)c(-c2ccccn2)[c-]c1-c1ccccn1.Cc1cc(C)c(-c2ccccn2)[c-]c1-c1ccccn1.Fc1c[c-]c(-c2cccc(-c3[c-]cccc3)n2)c(F)c1.O=C(O)c1cccc(-c2[c-]cc(F)cc2F)n1.O=C(O)c1cccc(-c2[c-]cccc2)n1.OCc1cccc(-c2[c-]cccc2)n1.[Ir+3].[Ir+3].[Ir].[Ir].[Ir].[c-]1c(-c2ccccn2)cccc1-c1ccccn1.[c-]1c(-c2ccccn2)cccc1-c1ccccn1.[c-]1ccccc1-c1cccc(-c2[c-]cccc2)n1.

What is the InChIKey of 2-(2,4-difluorobenzene-6-id-1-yl)-6-phenylpyridine;6-(2,4-difluorobenzene-6-id-1-yl)pyridine-2-carboxylic acid;tris(2-(2,4-dimethyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);2,6-di(phenyl)pyridine;tris(iridium);bis(iridium(3+));6-phenylpyridine-2-carboxylic acid;(6-phenyl-2-pyridinyl)methanol;bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine)?

The InChIKey is KZYMGCIQMNVTME-UHFFFAOYSA-N. The full InChI is InChI=1S/3C18H15N2.C17H9F2N.C17H11N.2C16H11N2.C12H6F2NO2.C12H8NO2.C12H10NO.5Ir/c3*1-13-11-14(2)16(18-8-4-6-10-20-18)12-15(13)17-7-3-5-9-19-17;18-13-9-10-14(15(19)11-13)17-8-4-7-16(20-17)12-5-2-1-3-6-12;1-3-8-14(9-4-1)16-12-7-13-17(18-16)15-10-5-2-6-11-15;2*1-3-10-17-15(8-1)13-6-5-7-14(12-13)16-9-2-4-11-18-16;13-7-4-5-8(9(14)6-7)10-2-1-3-11(15-10)12(16)17;14-12(15)11-8-4-7-10(13-11)9-5-2-1-3-6-9;14-9-11-7-4-8-12(13-11)10-5-2-1-3-6-10;;;;;/h3*3-11H,1-2H3;1-5,7-9,11H;1-8,10,12-13H;2*1-11H;1-4,6H,(H,16,17);1-5,7-8H,(H,14,15);1-5,7-8,14H,9H2;;;;;/q3*-1;2*-2;5*-1;;;;2*+3.

What are the key properties of 2-(2,4-difluorobenzene-6-id-1-yl)-6-phenylpyridine;6-(2,4-difluorobenzene-6-id-1-yl)pyridine-2-carboxylic acid;tris(2-(2,4-dimethyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);2,6-di(phenyl)pyridine;tris(iridium);bis(iridium(3+));6-phenylpyridine-2-carboxylic acid;(6-phenyl-2-pyridinyl)methanol;bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine)?

2-(2,4-difluorobenzene-6-id-1-yl)-6-phenylpyridine;6-(2,4-difluorobenzene-6-id-1-yl)pyridine-2-carboxylic acid;tris(2-(2,4-dimethyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);2,6-di(phenyl)pyridine;tris(iridium);bis(iridium(3+));6-phenylpyridine-2-carboxylic acid;(6-phenyl-2-pyridinyl)methanol;bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine) has a molecular weight of 3312.78 g/mol, XLogP of 35.02, 20 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-difluorobenzene-6-id-1-yl)-6-phenylpyridine;6-(2,4-difluorobenzene-6-id-1-yl)pyridine-2-carboxylic acid;tris(2-(2,4-dimethyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine);2,6-di(phenyl)pyridine;tris(iridium);bis(iridium(3+));6-phenylpyridine-2-carboxylic acid;(6-phenyl-2-pyridinyl)methanol;bis(2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine) is sourced from PubChem (CID 157289504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).