tetrakis(1-(4-fluorobenzene-6-id-1-yl)-3,4,5-trimethyl-2H-imidazol-3-ium-2-ide);tetrakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis(1,4,5-trimethyl-3-phenyl-2H-imidazol-1-ium-2-ide)

C127H120F10Ir4N32-12 — CID 158390593

About tetrakis(1-(4-fluorobenzene-6-id-1-yl)-3,4,5-trimethyl-2H-imidazol-3-ium-2-ide);tetrakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis(1,4,5-trimethyl-3-phenyl-2H-imidazol-1-ium-2-ide)

tetrakis(1-(4-fluorobenzene-6-id-1-yl)-3,4,5-trimethyl-2H-imidazol-3-ium-2-ide);tetrakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis(1,4,5-trimethyl-3-phenyl-2H-imidazol-1-ium-2-ide) (PubChem CID 158390593) has the molecular formula C127H120F10Ir4N32-12 and a molecular weight of 3053.43 g/mol. Its IUPAC name is tetrakis(1-(4-fluorobenzene-6-id-1-yl)-3,4,5-trimethyl-2H-imidazol-3-ium-2-ide);tetrakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis(1,4,5-trimethyl-3-phenyl-2H-imidazol-1-ium-2-ide).

Molecular Properties

• Compound Name: tetrakis(1-(4-fluorobenzene-6-id-1-yl)-3,4,5-trimethyl-2H-imidazol-3-ium-2-ide);tetrakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis(1,4,5-trimethyl-3-phenyl-2H-imidazol-1-ium-2-ide)
• PubChem CID: 158390593
• Molecular Formula: C127H120F10Ir4N32-12
• Molecular Weight: 3053.43 g/mol
• Exact Mass: 3054.88
• IUPAC Name: tetrakis(1-(4-fluorobenzene-6-id-1-yl)-3,4,5-trimethyl-2H-imidazol-3-ium-2-ide);tetrakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis(1,4,5-trimethyl-3-phenyl-2H-imidazol-1-ium-2-ide)
• SMILES: Cc1c(C)[n+](C)[c-]n1-c1[c-]cc(F)cc1.Cc1c(C)[n+](C)[c-]n1-c1[c-]cc(F)cc1.Cc1c(C)[n+](C)[c-]n1-c1[c-]cc(F)cc1.Cc1c(C)[n+](C)[c-]n1-c1[c-]cc(F)cc1.Cc1c(C)[n+](C)[c-]n1-c1[c-]cccc1.Cc1c(C)[n+](C)[c-]n1-c1[c-]cccc1.Cc1c(C)[n+](C)[c-]n1-c1[c-]cccc1.Cc1c(C)[n+](C)[c-]n1-c1[c-]cccc1.Cc1n[n-]c(-c2ccccn2)n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1n[n-]c(-c2ccccn2)n1.[Ir].[Ir].[Ir].[Ir].c1ccc(-c2nnn[n-]2)nc1
• InChI: InChI=1S/4C12H12FN2.4C12H13N2.C9H5F3N3.C8H4F3N4.C8H7N4.C6H4N5.4Ir/c4*1-9-10(2)15(8-14(9)3)12-6-4-11(13)5-7-12;4*1-10-11(2)14(9-13(10)3)12-7-5-4-6-8-12;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;9-8(10,11)7-13-6(14-15-7)5-3-1-2-4-12-5;1-6-10-8(12-11-6)7-4-2-3-5-9-7;1-2-4-7-5(3-1)6-8-10-11-9-6;;;;/h4*4-6H,1-3H3;4*4-7H,1-3H3;1-5H;1-4H;2-5H,1H3;1-4H;;;;/q12*-1
• InChIKey: ANKGIRONJIFKQS-UHFFFAOYSA-N
• XLogP: 17.03
• TPSA: 281.56 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 12
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3053.43
LogP ≤ 5	17.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tetrakis(1-(4-fluorobenzene-6-id-1-yl)-3,4,5-trimethyl-2H-imidazol-3-ium-2-ide);tetrakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis(1,4,5-trimethyl-3-phenyl-2H-imidazol-1-ium-2-ide)?

The IUPAC name of tetrakis(1-(4-fluorobenzene-6-id-1-yl)-3,4,5-trimethyl-2H-imidazol-3-ium-2-ide);tetrakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis(1,4,5-trimethyl-3-phenyl-2H-imidazol-1-ium-2-ide) (CID 158390593) is tetrakis(1-(4-fluorobenzene-6-id-1-yl)-3,4,5-trimethyl-2H-imidazol-3-ium-2-ide);tetrakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis(1,4,5-trimethyl-3-phenyl-2H-imidazol-1-ium-2-ide).

What is the SMILES notation for tetrakis(1-(4-fluorobenzene-6-id-1-yl)-3,4,5-trimethyl-2H-imidazol-3-ium-2-ide);tetrakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis(1,4,5-trimethyl-3-phenyl-2H-imidazol-1-ium-2-ide)?

The canonical SMILES for tetrakis(1-(4-fluorobenzene-6-id-1-yl)-3,4,5-trimethyl-2H-imidazol-3-ium-2-ide);tetrakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis(1,4,5-trimethyl-3-phenyl-2H-imidazol-1-ium-2-ide) is Cc1c(C)[n+](C)[c-]n1-c1[c-]cc(F)cc1.Cc1c(C)[n+](C)[c-]n1-c1[c-]cc(F)cc1.Cc1c(C)[n+](C)[c-]n1-c1[c-]cc(F)cc1.Cc1c(C)[n+](C)[c-]n1-c1[c-]cc(F)cc1.Cc1c(C)[n+](C)[c-]n1-c1[c-]cccc1.Cc1c(C)[n+](C)[c-]n1-c1[c-]cccc1.Cc1c(C)[n+](C)[c-]n1-c1[c-]cccc1.Cc1c(C)[n+](C)[c-]n1-c1[c-]cccc1.Cc1n[n-]c(-c2ccccn2)n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1n[n-]c(-c2ccccn2)n1.[Ir].[Ir].[Ir].[Ir].c1ccc(-c2nnn[n-]2)nc1.

What is the InChIKey of tetrakis(1-(4-fluorobenzene-6-id-1-yl)-3,4,5-trimethyl-2H-imidazol-3-ium-2-ide);tetrakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis(1,4,5-trimethyl-3-phenyl-2H-imidazol-1-ium-2-ide)?

The InChIKey is ANKGIRONJIFKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/4C12H12FN2.4C12H13N2.C9H5F3N3.C8H4F3N4.C8H7N4.C6H4N5.4Ir/c4*1-9-10(2)15(8-14(9)3)12-6-4-11(13)5-7-12;4*1-10-11(2)14(9-13(10)3)12-7-5-4-6-8-12;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;9-8(10,11)7-13-6(14-15-7)5-3-1-2-4-12-5;1-6-10-8(12-11-6)7-4-2-3-5-9-7;1-2-4-7-5(3-1)6-8-10-11-9-6;;;;/h4*4-6H,1-3H3;4*4-7H,1-3H3;1-5H;1-4H;2-5H,1H3;1-4H;;;;/q12*-1;;;;.

What are the key properties of tetrakis(1-(4-fluorobenzene-6-id-1-yl)-3,4,5-trimethyl-2H-imidazol-3-ium-2-ide);tetrakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis(1,4,5-trimethyl-3-phenyl-2H-imidazol-1-ium-2-ide)?

tetrakis(1-(4-fluorobenzene-6-id-1-yl)-3,4,5-trimethyl-2H-imidazol-3-ium-2-ide);tetrakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis(1,4,5-trimethyl-3-phenyl-2H-imidazol-1-ium-2-ide) has a molecular weight of 3053.43 g/mol, XLogP of 17.03, 12 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis(1-(4-fluorobenzene-6-id-1-yl)-3,4,5-trimethyl-2H-imidazol-3-ium-2-ide);tetrakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tetrakis(1,4,5-trimethyl-3-phenyl-2H-imidazol-1-ium-2-ide) is sourced from PubChem (CID 158390593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).