2-(2,4-difluorobenzene-6-id-1-yl)pyridine;3-[6-[1-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]cyclohexyl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;3-(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;bis(iridium);tris(platinum(2+));pyridine-2-carboxylic acid

C111H74F15Ir2N17O2Pt3-2 — CID 161318894

About 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;3-[6-[1-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]cyclohexyl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;3-(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;bis(iridium);tris(platinum(2+));pyridine-2-carboxylic acid

2-(2,4-difluorobenzene-6-id-1-yl)pyridine;3-[6-[1-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]cyclohexyl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;3-(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;bis(iridium);tris(platinum(2+));pyridine-2-carboxylic acid (PubChem CID 161318894) has the molecular formula C111H74F15Ir2N17O2Pt3-2 and a molecular weight of 2932.57 g/mol. Its IUPAC name is 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;3-[6-[1-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]cyclohexyl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;3-(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;bis(iridium);tris(platinum(2+));pyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;3-[6-[1-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]cyclohexyl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;3-(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;bis(iridium);tris(platinum(2+));pyridine-2-carboxylic acid
• PubChem CID: 161318894
• Molecular Formula: C111H74F15Ir2N17O2Pt3-2
• Molecular Weight: 2932.57 g/mol
• Exact Mass: 2932.42
• IUPAC Name: 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;3-[6-[1-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]cyclohexyl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;3-(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;bis(iridium);tris(platinum(2+));pyridine-2-carboxylic acid
• SMILES: CC(C)(c1cccc(-c2[c-]cc(F)nc2F)n1)c1cccc(-c2[c-]cc(F)nc2F)n1.CC(C)(c1cccc(-c2[c-]cc(F)nc2F)n1)c1cccc(-n2[c-]cc(C(F)(F)F)n2)n1.Cc1cccc(C)c1-c1cnc2c3[c-]cccc3c3ccccc3n12.Fc1c[c-]c(-c2cccc(C3(c4cccc(-c5[c-]cc(F)nc5F)n4)CCCCC3)n2)c(F)n1.Fc1c[c-]c(-c2ccccn2)c(F)c1.O=C(O)c1ccccn1.[Ir].[Ir].[Pt+2].[Pt+2].[Pt+2]
• InChI: InChI=1S/C26H18F4N4.C23H14F4N4.C23H17N2.C22H14F5N5.C11H6F2N.C6H5NO2.2Ir.3Pt/c27-22-12-10-16(24(29)33-22)18-6-4-8-20(31-18)26(14-2-1-3-15-26)21-9-5-7-19(32-21)17-11-13-23(28)34-25(17)30;1-23(2,17-7-3-5-15(28-17)13-9-11-19(24)30-21(13)26)18-8-4-6-16(29-18)14-10-12-20(25)31-22(14)27;1-15-8-7-9-16(2)22(15)21-14-24-23-19-12-4-3-10-17(19)18-11-5-6-13-20(18)25(21)23;1-21(2,15-6-3-5-14(28-15)13-9-10-18(23)30-20(13)24)16-7-4-8-19(29-16)32-12-11-17(31-32)22(25,26)27;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;8-6(9)5-3-1-2-4-7-5;;;;;/h4-9,12-13H,1-3,14-15H2;3-8,11-12H,1-2H3;3-11,13-14H,1-2H3;3-8,10-11H,1-2H3;1-4,6-7H;1-4H,(H,8,9);;;;;/q2*-2;-1;-2;-1;;;;3*+2
• InChIKey: BCIBYQDQGLNXMI-UHFFFAOYSA-N
• XLogP: 25.36
• TPSA: 239.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 18
• Rotatable Bonds: 15
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2932.57
LogP ≤ 5	25.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;3-[6-[1-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]cyclohexyl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;3-(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;bis(iridium);tris(platinum(2+));pyridine-2-carboxylic acid?

The IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;3-[6-[1-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]cyclohexyl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;3-(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;bis(iridium);tris(platinum(2+));pyridine-2-carboxylic acid (CID 161318894) is 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;3-[6-[1-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]cyclohexyl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;3-(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;bis(iridium);tris(platinum(2+));pyridine-2-carboxylic acid.

What is the SMILES notation for 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;3-[6-[1-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]cyclohexyl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;3-(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;bis(iridium);tris(platinum(2+));pyridine-2-carboxylic acid?

The canonical SMILES for 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;3-[6-[1-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]cyclohexyl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;3-(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;bis(iridium);tris(platinum(2+));pyridine-2-carboxylic acid is CC(C)(c1cccc(-c2[c-]cc(F)nc2F)n1)c1cccc(-c2[c-]cc(F)nc2F)n1.CC(C)(c1cccc(-c2[c-]cc(F)nc2F)n1)c1cccc(-n2[c-]cc(C(F)(F)F)n2)n1.Cc1cccc(C)c1-c1cnc2c3[c-]cccc3c3ccccc3n12.Fc1c[c-]c(-c2cccc(C3(c4cccc(-c5[c-]cc(F)nc5F)n4)CCCCC3)n2)c(F)n1.Fc1c[c-]c(-c2ccccn2)c(F)c1.O=C(O)c1ccccn1.[Ir].[Ir].[Pt+2].[Pt+2].[Pt+2].

What is the InChIKey of 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;3-[6-[1-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]cyclohexyl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;3-(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;bis(iridium);tris(platinum(2+));pyridine-2-carboxylic acid?

The InChIKey is BCIBYQDQGLNXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F4N4.C23H14F4N4.C23H17N2.C22H14F5N5.C11H6F2N.C6H5NO2.2Ir.3Pt/c27-22-12-10-16(24(29)33-22)18-6-4-8-20(31-18)26(14-2-1-3-15-26)21-9-5-7-19(32-21)17-11-13-23(28)34-25(17)30;1-23(2,17-7-3-5-15(28-17)13-9-11-19(24)30-21(13)26)18-8-4-6-16(29-18)14-10-12-20(25)31-22(14)27;1-15-8-7-9-16(2)22(15)21-14-24-23-19-12-4-3-10-17(19)18-11-5-6-13-20(18)25(21)23;1-21(2,15-6-3-5-14(28-15)13-9-10-18(23)30-20(13)24)16-7-4-8-19(29-16)32-12-11-17(31-32)22(25,26)27;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;8-6(9)5-3-1-2-4-7-5;;;;;/h4-9,12-13H,1-3,14-15H2;3-8,11-12H,1-2H3;3-11,13-14H,1-2H3;3-8,10-11H,1-2H3;1-4,6-7H;1-4H,(H,8,9);;;;;/q2*-2;-1;-2;-1;;;;3*+2.

What are the key properties of 2-(2,4-difluorobenzene-6-id-1-yl)pyridine;3-[6-[1-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]cyclohexyl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;3-(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;bis(iridium);tris(platinum(2+));pyridine-2-carboxylic acid?

2-(2,4-difluorobenzene-6-id-1-yl)pyridine;3-[6-[1-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]cyclohexyl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;3-(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;bis(iridium);tris(platinum(2+));pyridine-2-carboxylic acid has a molecular weight of 2932.57 g/mol, XLogP of 25.36, 15 rotatable bonds, 1 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)pyridine;3-[6-[1-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]cyclohexyl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;3-(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;bis(iridium);tris(platinum(2+));pyridine-2-carboxylic acid is sourced from PubChem (CID 161318894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).