tetrakis(di(pyrimidin-5-yl)phosphorylimino-hydroxy-di(pyrimidin-5-yl)-λ5-phosphane);2-fluoro-5-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-fluoro-5-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine;tetrakis(iridium);2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine

C108H78F14Ir4N48O8P8-4 — CID 159969625

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

tetrakis(di(pyrimidin-5-yl)phosphorylimino-hydroxy-di(pyrimidin-5-yl)-λ5-phosphane);2-fluoro-5-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-fluoro-5-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine;tetrakis(iridium);2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine (PubChem CID 159969625) has the molecular formula C108H78F14Ir4N48O8P8-4 and a molecular weight of 3458.77 g/mol. Its IUPAC name is tetrakis(di(pyrimidin-5-yl)phosphorylimino-hydroxy-di(pyrimidin-5-yl)-λ5-phosphane);2-fluoro-5-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-fluoro-5-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine;tetrakis(iridium);2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine.

Molecular Properties

• Compound Name: tetrakis(di(pyrimidin-5-yl)phosphorylimino-hydroxy-di(pyrimidin-5-yl)-λ5-phosphane);2-fluoro-5-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-fluoro-5-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine;tetrakis(iridium);2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine
• PubChem CID: 159969625
• Molecular Formula: C108H78F14Ir4N48O8P8-4
• Molecular Weight: 3458.77 g/mol
• Exact Mass: 3460.34
• IUPAC Name: tetrakis(di(pyrimidin-5-yl)phosphorylimino-hydroxy-di(pyrimidin-5-yl)-λ5-phosphane);2-fluoro-5-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-fluoro-5-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine;tetrakis(iridium);2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine
• SMILES: Cc1cc(-c2cnc(F)cn2)[c-]c(C(F)(F)F)n1.Cc1cc(-c2cnccn2)[c-]c(C(F)(F)F)n1.Cc1nc(C(F)(F)F)c[c-]c1-c1cnc(F)cn1.Cc1nc(C(F)(F)F)c[c-]c1-c1cnccn1.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/4C16H13N9O2P2.2C11H6F4N3.2C11H7F3N3.4Ir/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;1-6-2-7(3-9(18-6)11(13,14)15)8-4-17-10(12)5-16-8;1-6-7(8-4-17-10(12)5-16-8)2-3-9(18-6)11(13,14)15;1-7-4-8(9-6-15-2-3-16-9)5-10(17-7)11(12,13)14;1-7-8(9-6-15-4-5-16-9)2-3-10(17-7)11(12,13)14;;;;/h4*1-12,26H;2,4-5H,1H3;3-5H,1H3;2-4,6H,1H3;3-6H,1H3;;;;/q;;;;4*-1
• InChIKey: FWHPCFLMDLFFHW-UHFFFAOYSA-N
• XLogP: 10.27
• TPSA: 765.80 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 48
• Rotatable Bonds: 24
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3458.77
LogP ≤ 5	10.27
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	48

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);2-fluoro-5-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-fluoro-5-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine;tetrakis(iridium);2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine?

The IUPAC name of tetrakis(di(pyrimidin-5-yl)phosphorylimino-hydroxy-di(pyrimidin-5-yl)-λ5-phosphane);2-fluoro-5-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-fluoro-5-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine;tetrakis(iridium);2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine (CID 159969625) is tetrakis(di(pyrimidin-5-yl)phosphorylimino-hydroxy-di(pyrimidin-5-yl)-λ5-phosphane);2-fluoro-5-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-fluoro-5-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine;tetrakis(iridium);2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine.

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

The canonical SMILES for tetrakis(di(pyrimidin-5-yl)phosphorylimino-hydroxy-di(pyrimidin-5-yl)-λ5-phosphane);2-fluoro-5-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-fluoro-5-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine;tetrakis(iridium);2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine is Cc1cc(-c2cnc(F)cn2)[c-]c(C(F)(F)F)n1.Cc1cc(-c2cnccn2)[c-]c(C(F)(F)F)n1.Cc1nc(C(F)(F)F)c[c-]c1-c1cnc(F)cn1.Cc1nc(C(F)(F)F)c[c-]c1-c1cnccn1.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);2-fluoro-5-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-fluoro-5-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine;tetrakis(iridium);2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine?

The InChIKey is FWHPCFLMDLFFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/4C16H13N9O2P2.2C11H6F4N3.2C11H7F3N3.4Ir/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;1-6-2-7(3-9(18-6)11(13,14)15)8-4-17-10(12)5-16-8;1-6-7(8-4-17-10(12)5-16-8)2-3-9(18-6)11(13,14)15;1-7-4-8(9-6-15-2-3-16-9)5-10(17-7)11(12,13)14;1-7-8(9-6-15-4-5-16-9)2-3-10(17-7)11(12,13)14;;;;/h4*1-12,26H;2,4-5H,1H3;3-5H,1H3;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);2-fluoro-5-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-fluoro-5-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine;tetrakis(iridium);2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine?

tetrakis(di(pyrimidin-5-yl)phosphorylimino-hydroxy-di(pyrimidin-5-yl)-λ5-phosphane);2-fluoro-5-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-fluoro-5-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine;tetrakis(iridium);2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine has a molecular weight of 3458.77 g/mol, XLogP of 10.27, 24 rotatable bonds, 4 hydrogen bond donors, and 48 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);2-fluoro-5-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-fluoro-5-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine;tetrakis(iridium);2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrazine is sourced from PubChem (CID 159969625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).