3-[6-[1,3-bis(1-methylcyclopentyl)-2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;2-(2,4-difluorobenzene-6-id-1-yl)-4-[(1-methylcyclohexyl)methyl]pyridine;2,6-difluoro-3-[4-[(1-methylcyclohexyl)methyl]-6-[2-[4-[(1-methylcyclohexyl)methyl]-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2,6-difluoro-3-[4-[(1-methylcyclooctyl)methyl]-2-pyridinyl]-4H-pyridin-4-ide;bis(iridium);bis(platinum(2+));bis(pyridine-2-carboxylic acid)

C123H129F14Ir2N15O4Pt2-2 — CID 158102889

About 3-[6-[1,3-bis(1-methylcyclopentyl)-2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;2-(2,4-difluorobenzene-6-id-1-yl)-4-[(1-methylcyclohexyl)methyl]pyridine;2,6-difluoro-3-[4-[(1-methylcyclohexyl)methyl]-6-[2-[4-[(1-methylcyclohexyl)methyl]-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2,6-difluoro-3-[4-[(1-methylcyclooctyl)methyl]-2-pyridinyl]-4H-pyridin-4-ide;bis(iridium);bis(platinum(2+));bis(pyridine-2-carboxylic acid)

3-[6-[1,3-bis(1-methylcyclopentyl)-2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;2-(2,4-difluorobenzene-6-id-1-yl)-4-[(1-methylcyclohexyl)methyl]pyridine;2,6-difluoro-3-[4-[(1-methylcyclohexyl)methyl]-6-[2-[4-[(1-methylcyclohexyl)methyl]-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2,6-difluoro-3-[4-[(1-methylcyclooctyl)methyl]-2-pyridinyl]-4H-pyridin-4-ide;bis(iridium);bis(platinum(2+));bis(pyridine-2-carboxylic acid) (PubChem CID 158102889) has the molecular formula C123H129F14Ir2N15O4Pt2-2 and a molecular weight of 2922.05 g/mol. Its IUPAC name is 3-[6-[1,3-bis(1-methylcyclopentyl)-2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;2-(2,4-difluorobenzene-6-id-1-yl)-4-[(1-methylcyclohexyl)methyl]pyridine;2,6-difluoro-3-[4-[(1-methylcyclohexyl)methyl]-6-[2-[4-[(1-methylcyclohexyl)methyl]-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2,6-difluoro-3-[4-[(1-methylcyclooctyl)methyl]-2-pyridinyl]-4H-pyridin-4-ide;bis(iridium);bis(platinum(2+));bis(pyridine-2-carboxylic acid).

Molecular Properties

• Compound Name: 3-[6-[1,3-bis(1-methylcyclopentyl)-2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;2-(2,4-difluorobenzene-6-id-1-yl)-4-[(1-methylcyclohexyl)methyl]pyridine;2,6-difluoro-3-[4-[(1-methylcyclohexyl)methyl]-6-[2-[4-[(1-methylcyclohexyl)methyl]-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2,6-difluoro-3-[4-[(1-methylcyclooctyl)methyl]-2-pyridinyl]-4H-pyridin-4-ide;bis(iridium);bis(platinum(2+));bis(pyridine-2-carboxylic acid)
• PubChem CID: 158102889
• Molecular Formula: C123H129F14Ir2N15O4Pt2-2
• Molecular Weight: 2922.05 g/mol
• Exact Mass: 2921.87
• IUPAC Name: 3-[6-[1,3-bis(1-methylcyclopentyl)-2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;2-(2,4-difluorobenzene-6-id-1-yl)-4-[(1-methylcyclohexyl)methyl]pyridine;2,6-difluoro-3-[4-[(1-methylcyclohexyl)methyl]-6-[2-[4-[(1-methylcyclohexyl)methyl]-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2,6-difluoro-3-[4-[(1-methylcyclooctyl)methyl]-2-pyridinyl]-4H-pyridin-4-ide;bis(iridium);bis(platinum(2+));bis(pyridine-2-carboxylic acid)
• SMILES: CC1(CC(CC2(C)CCCC2)(c2cccc(-c3[c-]cc(F)nc3F)n2)c2cccc(-n3[c-]cc(C(F)(F)F)n3)n2)CCCC1.CC1(Cc2cc(-c3[c-]cc(F)nc3F)nc(C(C)(C)c3cc(CC4(C)CCCCC4)cc(-n4[c-]cc(C(F)(F)F)n4)n3)c2)CCCCC1.CC1(Cc2ccnc(-c3[c-]cc(F)cc3F)c2)CCCCC1.CC1(Cc2ccnc(-c3[c-]cc(F)nc3F)c2)CCCCCCC1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.[Ir].[Ir].[Pt+2].[Pt+2]
• InChI: InChI=1S/C38H42F5N5.C34H34F5N5.C20H23F2N2.C19H20F2N.2C6H5NO2.2Ir.2Pt/c1-35(2,30-20-25(23-36(3)14-7-5-8-15-36)19-28(44-30)27-11-12-32(39)46-34(27)40)31-21-26(24-37(4)16-9-6-10-17-37)22-33(45-31)48-18-13-29(47-48)38(41,42)43;1-31(16-3-4-17-31)21-33(22-32(2)18-5-6-19-32,25-10-7-9-24(40-25)23-13-14-28(35)42-30(23)36)26-11-8-12-29(41-26)44-20-15-27(43-44)34(37,38)39;1-20(10-5-3-2-4-6-11-20)14-15-9-12-23-17(13-15)16-7-8-18(21)24-19(16)22;1-19(8-3-2-4-9-19)13-14-7-10-22-18(11-14)16-6-5-15(20)12-17(16)21;2*8-6(9)5-3-1-2-4-7-5;;;;/h12-13,19-22H,5-10,14-17,23-24H2,1-4H3;7-12,14-15H,3-6,16-19,21-22H2,1-2H3;8-9,12-13H,2-6,10-11,14H2,1H3;5,7,10-12H,2-4,8-9,13H2,1H3;2*1-4H,(H,8,9);;;;/q2*-2;2*-1;;;;;2*+2
• InChIKey: NIEJDWKEWVUQLO-UHFFFAOYSA-N
• XLogP: 31.23
• TPSA: 252.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 24
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2922.05
LogP ≤ 5	31.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[6-[1,3-bis(1-methylcyclopentyl)-2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;2-(2,4-difluorobenzene-6-id-1-yl)-4-[(1-methylcyclohexyl)methyl]pyridine;2,6-difluoro-3-[4-[(1-methylcyclohexyl)methyl]-6-[2-[4-[(1-methylcyclohexyl)methyl]-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2,6-difluoro-3-[4-[(1-methylcyclooctyl)methyl]-2-pyridinyl]-4H-pyridin-4-ide;bis(iridium);bis(platinum(2+));bis(pyridine-2-carboxylic acid)?

The IUPAC name of 3-[6-[1,3-bis(1-methylcyclopentyl)-2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;2-(2,4-difluorobenzene-6-id-1-yl)-4-[(1-methylcyclohexyl)methyl]pyridine;2,6-difluoro-3-[4-[(1-methylcyclohexyl)methyl]-6-[2-[4-[(1-methylcyclohexyl)methyl]-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2,6-difluoro-3-[4-[(1-methylcyclooctyl)methyl]-2-pyridinyl]-4H-pyridin-4-ide;bis(iridium);bis(platinum(2+));bis(pyridine-2-carboxylic acid) (CID 158102889) is 3-[6-[1,3-bis(1-methylcyclopentyl)-2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;2-(2,4-difluorobenzene-6-id-1-yl)-4-[(1-methylcyclohexyl)methyl]pyridine;2,6-difluoro-3-[4-[(1-methylcyclohexyl)methyl]-6-[2-[4-[(1-methylcyclohexyl)methyl]-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2,6-difluoro-3-[4-[(1-methylcyclooctyl)methyl]-2-pyridinyl]-4H-pyridin-4-ide;bis(iridium);bis(platinum(2+));bis(pyridine-2-carboxylic acid).

What is the SMILES notation for 3-[6-[1,3-bis(1-methylcyclopentyl)-2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;2-(2,4-difluorobenzene-6-id-1-yl)-4-[(1-methylcyclohexyl)methyl]pyridine;2,6-difluoro-3-[4-[(1-methylcyclohexyl)methyl]-6-[2-[4-[(1-methylcyclohexyl)methyl]-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2,6-difluoro-3-[4-[(1-methylcyclooctyl)methyl]-2-pyridinyl]-4H-pyridin-4-ide;bis(iridium);bis(platinum(2+));bis(pyridine-2-carboxylic acid)?

The canonical SMILES for 3-[6-[1,3-bis(1-methylcyclopentyl)-2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;2-(2,4-difluorobenzene-6-id-1-yl)-4-[(1-methylcyclohexyl)methyl]pyridine;2,6-difluoro-3-[4-[(1-methylcyclohexyl)methyl]-6-[2-[4-[(1-methylcyclohexyl)methyl]-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2,6-difluoro-3-[4-[(1-methylcyclooctyl)methyl]-2-pyridinyl]-4H-pyridin-4-ide;bis(iridium);bis(platinum(2+));bis(pyridine-2-carboxylic acid) is CC1(CC(CC2(C)CCCC2)(c2cccc(-c3[c-]cc(F)nc3F)n2)c2cccc(-n3[c-]cc(C(F)(F)F)n3)n2)CCCC1.CC1(Cc2cc(-c3[c-]cc(F)nc3F)nc(C(C)(C)c3cc(CC4(C)CCCCC4)cc(-n4[c-]cc(C(F)(F)F)n4)n3)c2)CCCCC1.CC1(Cc2ccnc(-c3[c-]cc(F)cc3F)c2)CCCCC1.CC1(Cc2ccnc(-c3[c-]cc(F)nc3F)c2)CCCCCCC1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.[Ir].[Ir].[Pt+2].[Pt+2].

What is the InChIKey of 3-[6-[1,3-bis(1-methylcyclopentyl)-2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;2-(2,4-difluorobenzene-6-id-1-yl)-4-[(1-methylcyclohexyl)methyl]pyridine;2,6-difluoro-3-[4-[(1-methylcyclohexyl)methyl]-6-[2-[4-[(1-methylcyclohexyl)methyl]-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2,6-difluoro-3-[4-[(1-methylcyclooctyl)methyl]-2-pyridinyl]-4H-pyridin-4-ide;bis(iridium);bis(platinum(2+));bis(pyridine-2-carboxylic acid)?

The InChIKey is NIEJDWKEWVUQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H42F5N5.C34H34F5N5.C20H23F2N2.C19H20F2N.2C6H5NO2.2Ir.2Pt/c1-35(2,30-20-25(23-36(3)14-7-5-8-15-36)19-28(44-30)27-11-12-32(39)46-34(27)40)31-21-26(24-37(4)16-9-6-10-17-37)22-33(45-31)48-18-13-29(47-48)38(41,42)43;1-31(16-3-4-17-31)21-33(22-32(2)18-5-6-19-32,25-10-7-9-24(40-25)23-13-14-28(35)42-30(23)36)26-11-8-12-29(41-26)44-20-15-27(43-44)34(37,38)39;1-20(10-5-3-2-4-6-11-20)14-15-9-12-23-17(13-15)16-7-8-18(21)24-19(16)22;1-19(8-3-2-4-9-19)13-14-7-10-22-18(11-14)16-6-5-15(20)12-17(16)21;2*8-6(9)5-3-1-2-4-7-5;;;;/h12-13,19-22H,5-10,14-17,23-24H2,1-4H3;7-12,14-15H,3-6,16-19,21-22H2,1-2H3;8-9,12-13H,2-6,10-11,14H2,1H3;5,7,10-12H,2-4,8-9,13H2,1H3;2*1-4H,(H,8,9);;;;/q2*-2;2*-1;;;;;2*+2.

What are the key properties of 3-[6-[1,3-bis(1-methylcyclopentyl)-2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;2-(2,4-difluorobenzene-6-id-1-yl)-4-[(1-methylcyclohexyl)methyl]pyridine;2,6-difluoro-3-[4-[(1-methylcyclohexyl)methyl]-6-[2-[4-[(1-methylcyclohexyl)methyl]-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2,6-difluoro-3-[4-[(1-methylcyclooctyl)methyl]-2-pyridinyl]-4H-pyridin-4-ide;bis(iridium);bis(platinum(2+));bis(pyridine-2-carboxylic acid)?

3-[6-[1,3-bis(1-methylcyclopentyl)-2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;2-(2,4-difluorobenzene-6-id-1-yl)-4-[(1-methylcyclohexyl)methyl]pyridine;2,6-difluoro-3-[4-[(1-methylcyclohexyl)methyl]-6-[2-[4-[(1-methylcyclohexyl)methyl]-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2,6-difluoro-3-[4-[(1-methylcyclooctyl)methyl]-2-pyridinyl]-4H-pyridin-4-ide;bis(iridium);bis(platinum(2+));bis(pyridine-2-carboxylic acid) has a molecular weight of 2922.05 g/mol, XLogP of 31.23, 24 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[1,3-bis(1-methylcyclopentyl)-2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;2-(2,4-difluorobenzene-6-id-1-yl)-4-[(1-methylcyclohexyl)methyl]pyridine;2,6-difluoro-3-[4-[(1-methylcyclohexyl)methyl]-6-[2-[4-[(1-methylcyclohexyl)methyl]-6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2,6-difluoro-3-[4-[(1-methylcyclooctyl)methyl]-2-pyridinyl]-4H-pyridin-4-ide;bis(iridium);bis(platinum(2+));bis(pyridine-2-carboxylic acid) is sourced from PubChem (CID 158102889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).