tetrakis(1-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)-2H-imidazol-3-ium-2-ide);tetrakis(iridium);tris(1-(4-methoxybenzene-6-id-1-yl)-3-(4-methoxyphenyl)-2H-imidazol-3-ium-2-ide);1-(4-methoxybenzene-6-id-1-yl)-3-(4-methylphenyl)-2H-imidazol-3-ium-2-ide;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;bis(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine)

C158H115F14Ir4N33O7-12 — CID 159694160

About tetrakis(1-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)-2H-imidazol-3-ium-2-ide);tetrakis(iridium);tris(1-(4-methoxybenzene-6-id-1-yl)-3-(4-methoxyphenyl)-2H-imidazol-3-ium-2-ide);1-(4-methoxybenzene-6-id-1-yl)-3-(4-methylphenyl)-2H-imidazol-3-ium-2-ide;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;bis(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine)

tetrakis(1-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)-2H-imidazol-3-ium-2-ide);tetrakis(iridium);tris(1-(4-methoxybenzene-6-id-1-yl)-3-(4-methoxyphenyl)-2H-imidazol-3-ium-2-ide);1-(4-methoxybenzene-6-id-1-yl)-3-(4-methylphenyl)-2H-imidazol-3-ium-2-ide;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;bis(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine) (PubChem CID 159694160) has the molecular formula C158H115F14Ir4N33O7-12 and a molecular weight of 3622.72 g/mol. Its IUPAC name is tetrakis(1-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)-2H-imidazol-3-ium-2-ide);tetrakis(iridium);tris(1-(4-methoxybenzene-6-id-1-yl)-3-(4-methoxyphenyl)-2H-imidazol-3-ium-2-ide);1-(4-methoxybenzene-6-id-1-yl)-3-(4-methylphenyl)-2H-imidazol-3-ium-2-ide;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;bis(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine).

Molecular Properties

• Compound Name: tetrakis(1-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)-2H-imidazol-3-ium-2-ide);tetrakis(iridium);tris(1-(4-methoxybenzene-6-id-1-yl)-3-(4-methoxyphenyl)-2H-imidazol-3-ium-2-ide);1-(4-methoxybenzene-6-id-1-yl)-3-(4-methylphenyl)-2H-imidazol-3-ium-2-ide;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;bis(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine)
• PubChem CID: 159694160
• Molecular Formula: C158H115F14Ir4N33O7-12
• Molecular Weight: 3622.72 g/mol
• Exact Mass: 3623.80
• IUPAC Name: tetrakis(1-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)-2H-imidazol-3-ium-2-ide);tetrakis(iridium);tris(1-(4-methoxybenzene-6-id-1-yl)-3-(4-methoxyphenyl)-2H-imidazol-3-ium-2-ide);1-(4-methoxybenzene-6-id-1-yl)-3-(4-methylphenyl)-2H-imidazol-3-ium-2-ide;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;bis(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine)
• SMILES: COc1c[c-]c(-n2[c-][n+](-c3ccc(C)cc3)cc2)cc1.COc1c[c-]c(-n2[c-][n+](-c3ccc(OC)cc3)cc2)cc1.COc1c[c-]c(-n2[c-][n+](-c3ccc(OC)cc3)cc2)cc1.COc1c[c-]c(-n2[c-][n+](-c3ccc(OC)cc3)cc2)cc1.Cc1n[n-]c(-c2ccccn2)n1.FC(F)(F)c1n[n-]c(-c2ccccn2)n1.FC(F)(F)c1n[n-]c(-c2ccccn2)n1.Fc1c[c-]c(-n2[c-][n+](-c3ccc(F)cc3)cc2)cc1.Fc1c[c-]c(-n2[c-][n+](-c3ccc(F)cc3)cc2)cc1.Fc1c[c-]c(-n2[c-][n+](-c3ccc(F)cc3)cc2)cc1.Fc1c[c-]c(-n2[c-][n+](-c3ccc(F)cc3)cc2)cc1.[Ir].[Ir].[Ir].[Ir].c1ccc(-c2nnn[n-]2)nc1
• InChI: InChI=1S/3C17H15N2O2.C17H15N2O.4C15H9F2N2.2C8H4F3N4.C8H7N4.C6H4N5.4Ir/c3*1-20-16-7-3-14(4-8-16)18-11-12-19(13-18)15-5-9-17(21-2)10-6-15;1-14-3-5-15(6-4-14)18-11-12-19(13-18)16-7-9-17(20-2)10-8-16;4*16-12-1-5-14(6-2-12)18-9-10-19(11-18)15-7-3-13(17)4-8-15;2*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;;;;/h3*3-5,7-12H,1-2H3;3-7,9-12H,1-2H3;4*1-7,9-10H;2*1-4H;2-5H,1H3;1-4H;;;;/q12*-1
• InChIKey: RMGSUYQNQMVKIF-UHFFFAOYSA-N
• XLogP: 24.03
• TPSA: 359.06 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 27
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3622.72
LogP ≤ 5	24.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

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-fluorophenyl)-2H-imidazol-3-ium-2-ide);tetrakis(iridium);tris(1-(4-methoxybenzene-6-id-1-yl)-3-(4-methoxyphenyl)-2H-imidazol-3-ium-2-ide);1-(4-methoxybenzene-6-id-1-yl)-3-(4-methylphenyl)-2H-imidazol-3-ium-2-ide;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;bis(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine)?

The IUPAC name of tetrakis(1-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)-2H-imidazol-3-ium-2-ide);tetrakis(iridium);tris(1-(4-methoxybenzene-6-id-1-yl)-3-(4-methoxyphenyl)-2H-imidazol-3-ium-2-ide);1-(4-methoxybenzene-6-id-1-yl)-3-(4-methylphenyl)-2H-imidazol-3-ium-2-ide;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;bis(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine) (CID 159694160) is tetrakis(1-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)-2H-imidazol-3-ium-2-ide);tetrakis(iridium);tris(1-(4-methoxybenzene-6-id-1-yl)-3-(4-methoxyphenyl)-2H-imidazol-3-ium-2-ide);1-(4-methoxybenzene-6-id-1-yl)-3-(4-methylphenyl)-2H-imidazol-3-ium-2-ide;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;bis(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine).

What is the SMILES notation for tetrakis(1-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)-2H-imidazol-3-ium-2-ide);tetrakis(iridium);tris(1-(4-methoxybenzene-6-id-1-yl)-3-(4-methoxyphenyl)-2H-imidazol-3-ium-2-ide);1-(4-methoxybenzene-6-id-1-yl)-3-(4-methylphenyl)-2H-imidazol-3-ium-2-ide;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;bis(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine)?

The canonical SMILES for tetrakis(1-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)-2H-imidazol-3-ium-2-ide);tetrakis(iridium);tris(1-(4-methoxybenzene-6-id-1-yl)-3-(4-methoxyphenyl)-2H-imidazol-3-ium-2-ide);1-(4-methoxybenzene-6-id-1-yl)-3-(4-methylphenyl)-2H-imidazol-3-ium-2-ide;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;bis(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine) is COc1c[c-]c(-n2[c-][n+](-c3ccc(C)cc3)cc2)cc1.COc1c[c-]c(-n2[c-][n+](-c3ccc(OC)cc3)cc2)cc1.COc1c[c-]c(-n2[c-][n+](-c3ccc(OC)cc3)cc2)cc1.COc1c[c-]c(-n2[c-][n+](-c3ccc(OC)cc3)cc2)cc1.Cc1n[n-]c(-c2ccccn2)n1.FC(F)(F)c1n[n-]c(-c2ccccn2)n1.FC(F)(F)c1n[n-]c(-c2ccccn2)n1.Fc1c[c-]c(-n2[c-][n+](-c3ccc(F)cc3)cc2)cc1.Fc1c[c-]c(-n2[c-][n+](-c3ccc(F)cc3)cc2)cc1.Fc1c[c-]c(-n2[c-][n+](-c3ccc(F)cc3)cc2)cc1.Fc1c[c-]c(-n2[c-][n+](-c3ccc(F)cc3)cc2)cc1.[Ir].[Ir].[Ir].[Ir].c1ccc(-c2nnn[n-]2)nc1.

What is the InChIKey of tetrakis(1-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)-2H-imidazol-3-ium-2-ide);tetrakis(iridium);tris(1-(4-methoxybenzene-6-id-1-yl)-3-(4-methoxyphenyl)-2H-imidazol-3-ium-2-ide);1-(4-methoxybenzene-6-id-1-yl)-3-(4-methylphenyl)-2H-imidazol-3-ium-2-ide;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;bis(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine)?

The InChIKey is RMGSUYQNQMVKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/3C17H15N2O2.C17H15N2O.4C15H9F2N2.2C8H4F3N4.C8H7N4.C6H4N5.4Ir/c3*1-20-16-7-3-14(4-8-16)18-11-12-19(13-18)15-5-9-17(21-2)10-6-15;1-14-3-5-15(6-4-14)18-11-12-19(13-18)16-7-9-17(20-2)10-8-16;4*16-12-1-5-14(6-2-12)18-9-10-19(11-18)15-7-3-13(17)4-8-15;2*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;;;;/h3*3-5,7-12H,1-2H3;3-7,9-12H,1-2H3;4*1-7,9-10H;2*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-fluorophenyl)-2H-imidazol-3-ium-2-ide);tetrakis(iridium);tris(1-(4-methoxybenzene-6-id-1-yl)-3-(4-methoxyphenyl)-2H-imidazol-3-ium-2-ide);1-(4-methoxybenzene-6-id-1-yl)-3-(4-methylphenyl)-2H-imidazol-3-ium-2-ide;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;bis(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine)?

tetrakis(1-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)-2H-imidazol-3-ium-2-ide);tetrakis(iridium);tris(1-(4-methoxybenzene-6-id-1-yl)-3-(4-methoxyphenyl)-2H-imidazol-3-ium-2-ide);1-(4-methoxybenzene-6-id-1-yl)-3-(4-methylphenyl)-2H-imidazol-3-ium-2-ide;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;bis(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine) has a molecular weight of 3622.72 g/mol, XLogP of 24.03, 27 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis(1-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)-2H-imidazol-3-ium-2-ide);tetrakis(iridium);tris(1-(4-methoxybenzene-6-id-1-yl)-3-(4-methoxyphenyl)-2H-imidazol-3-ium-2-ide);1-(4-methoxybenzene-6-id-1-yl)-3-(4-methylphenyl)-2H-imidazol-3-ium-2-ide;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;bis(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine) is sourced from PubChem (CID 159694160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).