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

C116H80F24Ir4N44O8P8-4 — CID 162087207

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

tetrakis(di(pyrimidin-5-yl)phosphorylimino-hydroxy-di(pyrimidin-5-yl)-λ5-phosphane);tetrakis(iridium);2-methyl-6-(trifluoromethyl)-3-[5-(trifluoromethyl)-2-pyridinyl]-4H-pyridin-4-ide;2-methyl-6-(trifluoromethyl)-3-[6-(trifluoromethyl)-2-pyridinyl]-4H-pyridin-4-ide;6-methyl-2-(trifluoromethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-3H-pyridin-3-ide;6-methyl-2-(trifluoromethyl)-4-[6-(trifluoromethyl)-2-pyridinyl]-3H-pyridin-3-ide (PubChem CID 162087207) has the molecular formula C116H80F24Ir4N44O8P8-4 and a molecular weight of 3690.83 g/mol. Its IUPAC name is tetrakis(di(pyrimidin-5-yl)phosphorylimino-hydroxy-di(pyrimidin-5-yl)-λ5-phosphane);tetrakis(iridium);2-methyl-6-(trifluoromethyl)-3-[5-(trifluoromethyl)-2-pyridinyl]-4H-pyridin-4-ide;2-methyl-6-(trifluoromethyl)-3-[6-(trifluoromethyl)-2-pyridinyl]-4H-pyridin-4-ide;6-methyl-2-(trifluoromethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-3H-pyridin-3-ide;6-methyl-2-(trifluoromethyl)-4-[6-(trifluoromethyl)-2-pyridinyl]-3H-pyridin-3-ide.

Molecular Properties

• Compound Name: tetrakis(di(pyrimidin-5-yl)phosphorylimino-hydroxy-di(pyrimidin-5-yl)-λ5-phosphane);tetrakis(iridium);2-methyl-6-(trifluoromethyl)-3-[5-(trifluoromethyl)-2-pyridinyl]-4H-pyridin-4-ide;2-methyl-6-(trifluoromethyl)-3-[6-(trifluoromethyl)-2-pyridinyl]-4H-pyridin-4-ide;6-methyl-2-(trifluoromethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-3H-pyridin-3-ide;6-methyl-2-(trifluoromethyl)-4-[6-(trifluoromethyl)-2-pyridinyl]-3H-pyridin-3-ide
• PubChem CID: 162087207
• Molecular Formula: C116H80F24Ir4N44O8P8-4
• Molecular Weight: 3690.83 g/mol
• Exact Mass: 3692.33
• IUPAC Name: tetrakis(di(pyrimidin-5-yl)phosphorylimino-hydroxy-di(pyrimidin-5-yl)-λ5-phosphane);tetrakis(iridium);2-methyl-6-(trifluoromethyl)-3-[5-(trifluoromethyl)-2-pyridinyl]-4H-pyridin-4-ide;2-methyl-6-(trifluoromethyl)-3-[6-(trifluoromethyl)-2-pyridinyl]-4H-pyridin-4-ide;6-methyl-2-(trifluoromethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-3H-pyridin-3-ide;6-methyl-2-(trifluoromethyl)-4-[6-(trifluoromethyl)-2-pyridinyl]-3H-pyridin-3-ide
• SMILES: Cc1cc(-c2ccc(C(F)(F)F)cn2)[c-]c(C(F)(F)F)n1.Cc1cc(-c2cccc(C(F)(F)F)n2)[c-]c(C(F)(F)F)n1.Cc1nc(C(F)(F)F)c[c-]c1-c1ccc(C(F)(F)F)cn1.Cc1nc(C(F)(F)F)c[c-]c1-c1cccc(C(F)(F)F)n1.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/4C16H13N9O2P2.4C13H7F6N2.4Ir/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(3-5-11(21-7)13(17,18)19)10-4-2-8(6-20-10)12(14,15)16;1-7-4-8(5-11(21-7)13(17,18)19)10-3-2-9(6-20-10)12(14,15)16;1-7-5-8(6-11(20-7)13(17,18)19)9-3-2-4-10(21-9)12(14,15)16;1-7-8(5-6-11(20-7)13(17,18)19)9-3-2-4-10(21-9)12(14,15)16;;;;/h4*1-12,26H;2,4-6H,1H3;2-4,6H,1H3;2-5H,1H3;2-4,6H,1H3;;;;/q;;;;4*-1
• InChIKey: UAGIYQBUGVOUHR-UHFFFAOYSA-N
• XLogP: 16.49
• TPSA: 714.24 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 44
• Rotatable Bonds: 24
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3690.83
LogP ≤ 5	16.49
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);tetrakis(iridium);2-methyl-6-(trifluoromethyl)-3-[5-(trifluoromethyl)-2-pyridinyl]-4H-pyridin-4-ide;2-methyl-6-(trifluoromethyl)-3-[6-(trifluoromethyl)-2-pyridinyl]-4H-pyridin-4-ide;6-methyl-2-(trifluoromethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-3H-pyridin-3-ide;6-methyl-2-(trifluoromethyl)-4-[6-(trifluoromethyl)-2-pyridinyl]-3H-pyridin-3-ide?

The IUPAC name of tetrakis(di(pyrimidin-5-yl)phosphorylimino-hydroxy-di(pyrimidin-5-yl)-λ5-phosphane);tetrakis(iridium);2-methyl-6-(trifluoromethyl)-3-[5-(trifluoromethyl)-2-pyridinyl]-4H-pyridin-4-ide;2-methyl-6-(trifluoromethyl)-3-[6-(trifluoromethyl)-2-pyridinyl]-4H-pyridin-4-ide;6-methyl-2-(trifluoromethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-3H-pyridin-3-ide;6-methyl-2-(trifluoromethyl)-4-[6-(trifluoromethyl)-2-pyridinyl]-3H-pyridin-3-ide (CID 162087207) is tetrakis(di(pyrimidin-5-yl)phosphorylimino-hydroxy-di(pyrimidin-5-yl)-λ5-phosphane);tetrakis(iridium);2-methyl-6-(trifluoromethyl)-3-[5-(trifluoromethyl)-2-pyridinyl]-4H-pyridin-4-ide;2-methyl-6-(trifluoromethyl)-3-[6-(trifluoromethyl)-2-pyridinyl]-4H-pyridin-4-ide;6-methyl-2-(trifluoromethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-3H-pyridin-3-ide;6-methyl-2-(trifluoromethyl)-4-[6-(trifluoromethyl)-2-pyridinyl]-3H-pyridin-3-ide.

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

The canonical SMILES for tetrakis(di(pyrimidin-5-yl)phosphorylimino-hydroxy-di(pyrimidin-5-yl)-λ5-phosphane);tetrakis(iridium);2-methyl-6-(trifluoromethyl)-3-[5-(trifluoromethyl)-2-pyridinyl]-4H-pyridin-4-ide;2-methyl-6-(trifluoromethyl)-3-[6-(trifluoromethyl)-2-pyridinyl]-4H-pyridin-4-ide;6-methyl-2-(trifluoromethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-3H-pyridin-3-ide;6-methyl-2-(trifluoromethyl)-4-[6-(trifluoromethyl)-2-pyridinyl]-3H-pyridin-3-ide is Cc1cc(-c2ccc(C(F)(F)F)cn2)[c-]c(C(F)(F)F)n1.Cc1cc(-c2cccc(C(F)(F)F)n2)[c-]c(C(F)(F)F)n1.Cc1nc(C(F)(F)F)c[c-]c1-c1ccc(C(F)(F)F)cn1.Cc1nc(C(F)(F)F)c[c-]c1-c1cccc(C(F)(F)F)n1.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);tetrakis(iridium);2-methyl-6-(trifluoromethyl)-3-[5-(trifluoromethyl)-2-pyridinyl]-4H-pyridin-4-ide;2-methyl-6-(trifluoromethyl)-3-[6-(trifluoromethyl)-2-pyridinyl]-4H-pyridin-4-ide;6-methyl-2-(trifluoromethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-3H-pyridin-3-ide;6-methyl-2-(trifluoromethyl)-4-[6-(trifluoromethyl)-2-pyridinyl]-3H-pyridin-3-ide?

The InChIKey is UAGIYQBUGVOUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/4C16H13N9O2P2.4C13H7F6N2.4Ir/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(3-5-11(21-7)13(17,18)19)10-4-2-8(6-20-10)12(14,15)16;1-7-4-8(5-11(21-7)13(17,18)19)10-3-2-9(6-20-10)12(14,15)16;1-7-5-8(6-11(20-7)13(17,18)19)9-3-2-4-10(21-9)12(14,15)16;1-7-8(5-6-11(20-7)13(17,18)19)9-3-2-4-10(21-9)12(14,15)16;;;;/h4*1-12,26H;2,4-6H,1H3;2-4,6H,1H3;2-5H,1H3;2-4,6H,1H3;;;;/q;;;;4*-1;;;;.

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

tetrakis(di(pyrimidin-5-yl)phosphorylimino-hydroxy-di(pyrimidin-5-yl)-λ5-phosphane);tetrakis(iridium);2-methyl-6-(trifluoromethyl)-3-[5-(trifluoromethyl)-2-pyridinyl]-4H-pyridin-4-ide;2-methyl-6-(trifluoromethyl)-3-[6-(trifluoromethyl)-2-pyridinyl]-4H-pyridin-4-ide;6-methyl-2-(trifluoromethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-3H-pyridin-3-ide;6-methyl-2-(trifluoromethyl)-4-[6-(trifluoromethyl)-2-pyridinyl]-3H-pyridin-3-ide has a molecular weight of 3690.83 g/mol, XLogP of 16.49, 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);tetrakis(iridium);2-methyl-6-(trifluoromethyl)-3-[5-(trifluoromethyl)-2-pyridinyl]-4H-pyridin-4-ide;2-methyl-6-(trifluoromethyl)-3-[6-(trifluoromethyl)-2-pyridinyl]-4H-pyridin-4-ide;6-methyl-2-(trifluoromethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-3H-pyridin-3-ide;6-methyl-2-(trifluoromethyl)-4-[6-(trifluoromethyl)-2-pyridinyl]-3H-pyridin-3-ide is sourced from PubChem (CID 162087207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).