tetrakis(di(pyrimidin-5-yl)phosphorylimino-hydroxy-di(pyrimidin-5-yl)-λ5-phosphane);3-(4-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;3-(5-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(4-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;4-(5-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;tetrakis(iridium)

C112H80F16Ir4N44O8P8-4 — CID 159597308

About tetrakis(di(pyrimidin-5-yl)phosphorylimino-hydroxy-di(pyrimidin-5-yl)-λ5-phosphane);3-(4-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;3-(5-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(4-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;4-(5-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;tetrakis(iridium)

tetrakis(di(pyrimidin-5-yl)phosphorylimino-hydroxy-di(pyrimidin-5-yl)-λ5-phosphane);3-(4-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;3-(5-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(4-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;4-(5-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;tetrakis(iridium) (PubChem CID 159597308) has the molecular formula C112H80F16Ir4N44O8P8-4 and a molecular weight of 3490.80 g/mol. Its IUPAC name is tetrakis(di(pyrimidin-5-yl)phosphorylimino-hydroxy-di(pyrimidin-5-yl)-λ5-phosphane);3-(4-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;3-(5-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(4-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;4-(5-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;tetrakis(iridium).

Molecular Properties

• Compound Name: tetrakis(di(pyrimidin-5-yl)phosphorylimino-hydroxy-di(pyrimidin-5-yl)-λ5-phosphane);3-(4-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;3-(5-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(4-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;4-(5-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;tetrakis(iridium)
• PubChem CID: 159597308
• Molecular Formula: C112H80F16Ir4N44O8P8-4
• Molecular Weight: 3490.80 g/mol
• Exact Mass: 3492.34
• IUPAC Name: tetrakis(di(pyrimidin-5-yl)phosphorylimino-hydroxy-di(pyrimidin-5-yl)-λ5-phosphane);3-(4-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;3-(5-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(4-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;4-(5-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;tetrakis(iridium)
• SMILES: Cc1cc(-c2cc(F)ccn2)[c-]c(C(F)(F)F)n1.Cc1cc(-c2ccc(F)cn2)[c-]c(C(F)(F)F)n1.Cc1nc(C(F)(F)F)c[c-]c1-c1cc(F)ccn1.Cc1nc(C(F)(F)F)c[c-]c1-c1ccc(F)cn1.O=P(N=P(O)(c1cncnc1)c1cncnc1)(c1cncnc1)c1cncnc1.O=P(N=P(O)(c1cncnc1)c1cncnc1)(c1cncnc1)c1cncnc1.O=P(N=P(O)(c1cncnc1)c1cncnc1)(c1cncnc1)c1cncnc1.O=P(N=P(O)(c1cncnc1)c1cncnc1)(c1cncnc1)c1cncnc1.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/4C16H13N9O2P2.4C12H7F4N2.4Ir/c4*26-28(13-1-17-9-18-2-13,14-3-19-10-20-4-14)25-29(27,15-5-21-11-22-6-15)16-7-23-12-24-8-16;1-7-9(10-4-2-8(13)6-17-10)3-5-11(18-7)12(14,15)16;1-7-4-8(5-11(18-7)12(14,15)16)10-6-9(13)2-3-17-10;1-7-4-8(5-11(18-7)12(14,15)16)10-3-2-9(13)6-17-10;1-7-9(10-6-8(13)4-5-17-10)2-3-11(18-7)12(14,15)16;;;;/h4*1-12,26H;2,4-6H,1H3;2*2-4,6H,1H3;3-6H,1H3;;;;/q;;;;4*-1
• InChIKey: FIYDIKGZUQNMFW-UHFFFAOYSA-N
• XLogP: 12.97
• TPSA: 714.24 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 44
• Rotatable Bonds: 24
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3490.80
LogP ≤ 5	12.97
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	44

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 tetrakis(di(pyrimidin-5-yl)phosphorylimino-hydroxy-di(pyrimidin-5-yl)-λ5-phosphane);3-(4-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;3-(5-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(4-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;4-(5-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;tetrakis(iridium)?

The IUPAC name of tetrakis(di(pyrimidin-5-yl)phosphorylimino-hydroxy-di(pyrimidin-5-yl)-λ5-phosphane);3-(4-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;3-(5-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(4-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;4-(5-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;tetrakis(iridium) (CID 159597308) is tetrakis(di(pyrimidin-5-yl)phosphorylimino-hydroxy-di(pyrimidin-5-yl)-λ5-phosphane);3-(4-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;3-(5-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(4-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;4-(5-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;tetrakis(iridium).

What is the SMILES notation for tetrakis(di(pyrimidin-5-yl)phosphorylimino-hydroxy-di(pyrimidin-5-yl)-λ5-phosphane);3-(4-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;3-(5-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(4-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;4-(5-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;tetrakis(iridium)?

The canonical SMILES for tetrakis(di(pyrimidin-5-yl)phosphorylimino-hydroxy-di(pyrimidin-5-yl)-λ5-phosphane);3-(4-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;3-(5-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(4-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;4-(5-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;tetrakis(iridium) is Cc1cc(-c2cc(F)ccn2)[c-]c(C(F)(F)F)n1.Cc1cc(-c2ccc(F)cn2)[c-]c(C(F)(F)F)n1.Cc1nc(C(F)(F)F)c[c-]c1-c1cc(F)ccn1.Cc1nc(C(F)(F)F)c[c-]c1-c1ccc(F)cn1.O=P(N=P(O)(c1cncnc1)c1cncnc1)(c1cncnc1)c1cncnc1.O=P(N=P(O)(c1cncnc1)c1cncnc1)(c1cncnc1)c1cncnc1.O=P(N=P(O)(c1cncnc1)c1cncnc1)(c1cncnc1)c1cncnc1.O=P(N=P(O)(c1cncnc1)c1cncnc1)(c1cncnc1)c1cncnc1.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of tetrakis(di(pyrimidin-5-yl)phosphorylimino-hydroxy-di(pyrimidin-5-yl)-λ5-phosphane);3-(4-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;3-(5-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(4-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;4-(5-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;tetrakis(iridium)?

The InChIKey is FIYDIKGZUQNMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/4C16H13N9O2P2.4C12H7F4N2.4Ir/c4*26-28(13-1-17-9-18-2-13,14-3-19-10-20-4-14)25-29(27,15-5-21-11-22-6-15)16-7-23-12-24-8-16;1-7-9(10-4-2-8(13)6-17-10)3-5-11(18-7)12(14,15)16;1-7-4-8(5-11(18-7)12(14,15)16)10-6-9(13)2-3-17-10;1-7-4-8(5-11(18-7)12(14,15)16)10-3-2-9(13)6-17-10;1-7-9(10-6-8(13)4-5-17-10)2-3-11(18-7)12(14,15)16;;;;/h4*1-12,26H;2,4-6H,1H3;2*2-4,6H,1H3;3-6H,1H3;;;;/q;;;;4*-1;;;;.

What are the key properties of tetrakis(di(pyrimidin-5-yl)phosphorylimino-hydroxy-di(pyrimidin-5-yl)-λ5-phosphane);3-(4-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;3-(5-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(4-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;4-(5-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;tetrakis(iridium)?

tetrakis(di(pyrimidin-5-yl)phosphorylimino-hydroxy-di(pyrimidin-5-yl)-λ5-phosphane);3-(4-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;3-(5-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(4-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;4-(5-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;tetrakis(iridium) has a molecular weight of 3490.80 g/mol, XLogP of 12.97, 24 rotatable bonds, 4 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis(di(pyrimidin-5-yl)phosphorylimino-hydroxy-di(pyrimidin-5-yl)-λ5-phosphane);3-(4-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;3-(5-fluoro-2-pyridinyl)-2-methyl-6-(trifluoromethyl)-4H-pyridin-4-ide;4-(4-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;4-(5-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;tetrakis(iridium) is sourced from PubChem (CID 159597308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).