tetrakis(dipyridin-4-ylphosphorylimino-hydroxy-dipyridin-4-yl-λ5-phosphane);3-(6-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(6-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;tetrakis(iridium);2-methyl-3-pyridin-2-yl-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-pyridin-2-yl-2-(trifluoromethyl)-3H-pyridin-3-ide

C128H98F14Ir4N28O8P8-4 — CID 157057556

About tetrakis(dipyridin-4-ylphosphorylimino-hydroxy-dipyridin-4-yl-λ5-phosphane);3-(6-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(6-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;tetrakis(iridium);2-methyl-3-pyridin-2-yl-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-pyridin-2-yl-2-(trifluoromethyl)-3H-pyridin-3-ide

tetrakis(dipyridin-4-ylphosphorylimino-hydroxy-dipyridin-4-yl-λ5-phosphane);3-(6-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(6-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;tetrakis(iridium);2-methyl-3-pyridin-2-yl-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-pyridin-2-yl-2-(trifluoromethyl)-3H-pyridin-3-ide (PubChem CID 157057556) has the molecular formula C128H98F14Ir4N28O8P8-4 and a molecular weight of 3439.01 g/mol. Its IUPAC name is tetrakis(dipyridin-4-ylphosphorylimino-hydroxy-dipyridin-4-yl-λ5-phosphane);3-(6-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(6-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;tetrakis(iridium);2-methyl-3-pyridin-2-yl-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-pyridin-2-yl-2-(trifluoromethyl)-3H-pyridin-3-ide.

Molecular Properties

• Compound Name: tetrakis(dipyridin-4-ylphosphorylimino-hydroxy-dipyridin-4-yl-λ5-phosphane);3-(6-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(6-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;tetrakis(iridium);2-methyl-3-pyridin-2-yl-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-pyridin-2-yl-2-(trifluoromethyl)-3H-pyridin-3-ide
• PubChem CID: 157057556
• Molecular Formula: C128H98F14Ir4N28O8P8-4
• Molecular Weight: 3439.01 g/mol
• Exact Mass: 3440.43
• IUPAC Name: tetrakis(dipyridin-4-ylphosphorylimino-hydroxy-dipyridin-4-yl-λ5-phosphane);3-(6-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(6-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;tetrakis(iridium);2-methyl-3-pyridin-2-yl-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-pyridin-2-yl-2-(trifluoromethyl)-3H-pyridin-3-ide
• SMILES: Cc1cc(-c2cccc(F)n2)[c-]c(C(F)(F)F)n1.Cc1cc(-c2ccccn2)[c-]c(C(F)(F)F)n1.Cc1nc(C(F)(F)F)c[c-]c1-c1cccc(F)n1.Cc1nc(C(F)(F)F)c[c-]c1-c1ccccn1.O=P(N=P(O)(c1ccncc1)c1ccncc1)(c1ccncc1)c1ccncc1.O=P(N=P(O)(c1ccncc1)c1ccncc1)(c1ccncc1)c1ccncc1.O=P(N=P(O)(c1ccncc1)c1ccncc1)(c1ccncc1)c1ccncc1.O=P(N=P(O)(c1ccncc1)c1ccncc1)(c1ccncc1)c1ccncc1.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/4C20H17N5O2P2.2C12H7F4N2.2C12H8F3N2.4Ir/c4*26-28(17-1-9-21-10-2-17,18-3-11-22-12-4-18)25-29(27,19-5-13-23-14-6-19)20-7-15-24-16-8-20;1-7-5-8(6-10(17-7)12(14,15)16)9-3-2-4-11(13)18-9;1-7-8(9-3-2-4-11(13)18-9)5-6-10(17-7)12(14,15)16;1-8-9(10-4-2-3-7-16-10)5-6-11(17-8)12(13,14)15;1-8-6-9(10-4-2-3-5-16-10)7-11(17-8)12(13,14)15;;;;/h4*1-16,26H;2-5H,1H3;2-4,6H,1H3;2-4,6-7H,1H3;2-6H,1H3;;;;/q;;;;4*-1
• InChIKey: CLDSZYHVNDSYHE-UHFFFAOYSA-N
• XLogP: 22.37
• TPSA: 508.00 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Rotatable Bonds: 24
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3439.01
LogP ≤ 5	22.37
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tetrakis(dipyridin-4-ylphosphorylimino-hydroxy-dipyridin-4-yl-λ5-phosphane);3-(6-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(6-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;tetrakis(iridium);2-methyl-3-pyridin-2-yl-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-pyridin-2-yl-2-(trifluoromethyl)-3H-pyridin-3-ide?

The IUPAC name of tetrakis(dipyridin-4-ylphosphorylimino-hydroxy-dipyridin-4-yl-λ5-phosphane);3-(6-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(6-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;tetrakis(iridium);2-methyl-3-pyridin-2-yl-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-pyridin-2-yl-2-(trifluoromethyl)-3H-pyridin-3-ide (CID 157057556) is tetrakis(dipyridin-4-ylphosphorylimino-hydroxy-dipyridin-4-yl-λ5-phosphane);3-(6-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(6-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;tetrakis(iridium);2-methyl-3-pyridin-2-yl-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-pyridin-2-yl-2-(trifluoromethyl)-3H-pyridin-3-ide.

What is the SMILES notation for tetrakis(dipyridin-4-ylphosphorylimino-hydroxy-dipyridin-4-yl-λ5-phosphane);3-(6-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(6-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;tetrakis(iridium);2-methyl-3-pyridin-2-yl-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-pyridin-2-yl-2-(trifluoromethyl)-3H-pyridin-3-ide?

The canonical SMILES for tetrakis(dipyridin-4-ylphosphorylimino-hydroxy-dipyridin-4-yl-λ5-phosphane);3-(6-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(6-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;tetrakis(iridium);2-methyl-3-pyridin-2-yl-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-pyridin-2-yl-2-(trifluoromethyl)-3H-pyridin-3-ide is Cc1cc(-c2cccc(F)n2)[c-]c(C(F)(F)F)n1.Cc1cc(-c2ccccn2)[c-]c(C(F)(F)F)n1.Cc1nc(C(F)(F)F)c[c-]c1-c1cccc(F)n1.Cc1nc(C(F)(F)F)c[c-]c1-c1ccccn1.O=P(N=P(O)(c1ccncc1)c1ccncc1)(c1ccncc1)c1ccncc1.O=P(N=P(O)(c1ccncc1)c1ccncc1)(c1ccncc1)c1ccncc1.O=P(N=P(O)(c1ccncc1)c1ccncc1)(c1ccncc1)c1ccncc1.O=P(N=P(O)(c1ccncc1)c1ccncc1)(c1ccncc1)c1ccncc1.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of tetrakis(dipyridin-4-ylphosphorylimino-hydroxy-dipyridin-4-yl-λ5-phosphane);3-(6-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(6-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;tetrakis(iridium);2-methyl-3-pyridin-2-yl-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-pyridin-2-yl-2-(trifluoromethyl)-3H-pyridin-3-ide?

The InChIKey is CLDSZYHVNDSYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/4C20H17N5O2P2.2C12H7F4N2.2C12H8F3N2.4Ir/c4*26-28(17-1-9-21-10-2-17,18-3-11-22-12-4-18)25-29(27,19-5-13-23-14-6-19)20-7-15-24-16-8-20;1-7-5-8(6-10(17-7)12(14,15)16)9-3-2-4-11(13)18-9;1-7-8(9-3-2-4-11(13)18-9)5-6-10(17-7)12(14,15)16;1-8-9(10-4-2-3-7-16-10)5-6-11(17-8)12(13,14)15;1-8-6-9(10-4-2-3-5-16-10)7-11(17-8)12(13,14)15;;;;/h4*1-16,26H;2-5H,1H3;2-4,6H,1H3;2-4,6-7H,1H3;2-6H,1H3;;;;/q;;;;4*-1;;;;.

What are the key properties of tetrakis(dipyridin-4-ylphosphorylimino-hydroxy-dipyridin-4-yl-λ5-phosphane);3-(6-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(6-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;tetrakis(iridium);2-methyl-3-pyridin-2-yl-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-pyridin-2-yl-2-(trifluoromethyl)-3H-pyridin-3-ide?

tetrakis(dipyridin-4-ylphosphorylimino-hydroxy-dipyridin-4-yl-λ5-phosphane);3-(6-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(6-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;tetrakis(iridium);2-methyl-3-pyridin-2-yl-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-pyridin-2-yl-2-(trifluoromethyl)-3H-pyridin-3-ide has a molecular weight of 3439.01 g/mol, XLogP of 22.37, 24 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis(dipyridin-4-ylphosphorylimino-hydroxy-dipyridin-4-yl-λ5-phosphane);3-(6-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(6-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;tetrakis(iridium);2-methyl-3-pyridin-2-yl-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-pyridin-2-yl-2-(trifluoromethyl)-3H-pyridin-3-ide is sourced from PubChem (CID 157057556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).