bis(4-(2,4-difluorobenzene-6-id-1-yl)-2-(5-methylpyrazol-2-id-3-yl)-1-(2,4,6-trimethylphenyl)imidazole);4-(2,4-difluorobenzene-6-id-1-yl)-2-(3-propan-2-ylpyrazol-1-id-5-yl)-1-(2,4,6-trimethylphenyl)imidazole;3-[4-(2,4-difluorobenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-diene;tetrakis(iridium);tetrakis(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide)

C149H131F20Ir4N33-20 — CID 162285725

About bis(4-(2,4-difluorobenzene-6-id-1-yl)-2-(5-methylpyrazol-2-id-3-yl)-1-(2,4,6-trimethylphenyl)imidazole);4-(2,4-difluorobenzene-6-id-1-yl)-2-(3-propan-2-ylpyrazol-1-id-5-yl)-1-(2,4,6-trimethylphenyl)imidazole;3-[4-(2,4-difluorobenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-diene;tetrakis(iridium);tetrakis(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide)

bis(4-(2,4-difluorobenzene-6-id-1-yl)-2-(5-methylpyrazol-2-id-3-yl)-1-(2,4,6-trimethylphenyl)imidazole);4-(2,4-difluorobenzene-6-id-1-yl)-2-(3-propan-2-ylpyrazol-1-id-5-yl)-1-(2,4,6-trimethylphenyl)imidazole;3-[4-(2,4-difluorobenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-diene;tetrakis(iridium);tetrakis(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide) (PubChem CID 162285725) has the molecular formula C149H131F20Ir4N33-20 and a molecular weight of 3532.75 g/mol. Its IUPAC name is bis(4-(2,4-difluorobenzene-6-id-1-yl)-2-(5-methylpyrazol-2-id-3-yl)-1-(2,4,6-trimethylphenyl)imidazole);4-(2,4-difluorobenzene-6-id-1-yl)-2-(3-propan-2-ylpyrazol-1-id-5-yl)-1-(2,4,6-trimethylphenyl)imidazole;3-[4-(2,4-difluorobenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-diene;tetrakis(iridium);tetrakis(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide).

Molecular Properties

• Compound Name: bis(4-(2,4-difluorobenzene-6-id-1-yl)-2-(5-methylpyrazol-2-id-3-yl)-1-(2,4,6-trimethylphenyl)imidazole);4-(2,4-difluorobenzene-6-id-1-yl)-2-(3-propan-2-ylpyrazol-1-id-5-yl)-1-(2,4,6-trimethylphenyl)imidazole;3-[4-(2,4-difluorobenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-diene;tetrakis(iridium);tetrakis(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide)
• PubChem CID: 162285725
• Molecular Formula: C149H131F20Ir4N33-20
• Molecular Weight: 3532.75 g/mol
• Exact Mass: 3533.96
• IUPAC Name: bis(4-(2,4-difluorobenzene-6-id-1-yl)-2-(5-methylpyrazol-2-id-3-yl)-1-(2,4,6-trimethylphenyl)imidazole);4-(2,4-difluorobenzene-6-id-1-yl)-2-(3-propan-2-ylpyrazol-1-id-5-yl)-1-(2,4,6-trimethylphenyl)imidazole;3-[4-(2,4-difluorobenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-diene;tetrakis(iridium);tetrakis(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide)
• SMILES: CN1C=CN(c2[c-]c(N3C=CN(C)[CH-]3)cc(C(F)(F)F)c2)[CH-]1.CN1C=CN(c2[c-]c(N3C=CN(C)[CH-]3)cc(C(F)(F)F)c2)[CH-]1.CN1C=CN(c2[c-]c(N3C=CN(C)[CH-]3)cc(C(F)(F)F)c2)[CH-]1.CN1C=CN(c2[c-]c(N3C=CN(C)[CH-]3)cc(C(F)(F)F)c2)[CH-]1.Cc1cc(C)c(-n2cc(-c3[c-]cc(F)cc3F)nc2-c2cc(C(C)C)n[n-]2)c(C)c1.Cc1cc(C)c(-n2cc(-c3[c-]cc(F)cc3F)nc2-c2cc(C)n[n-]2)c(C)c1.Cc1cc(C)c(-n2cc(-c3[c-]cc(F)cc3F)nc2-c2cc(C)n[n-]2)c(C)c1.Cc1cc(C)c(-n2cc(-c3[c-]cc(F)cc3F)nc2-c2nc(C)n[n-]2)c(C)c1.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C24H22F2N4.2C22H18F2N4.C21H17F2N5.4C15H14F3N4.4Ir/c1-13(2)20-11-21(29-28-20)24-27-22(18-7-6-17(25)10-19(18)26)12-30(24)23-15(4)8-14(3)9-16(23)5;2*1-12-7-13(2)21(14(3)8-12)28-11-20(17-6-5-16(23)10-18(17)24)25-22(28)19-9-15(4)26-27-19;1-11-7-12(2)19(13(3)8-11)28-10-18(16-6-5-15(22)9-17(16)23)25-21(28)20-24-14(4)26-27-20;4*1-19-3-5-21(10-19)13-7-12(15(16,17)18)8-14(9-13)22-6-4-20(2)11-22;;;;/h6,8-13H,1-5H3;2*5,7-11H,1-4H3;5,7-10H,1-4H3;4*3-8,10-11H,1-2H3;;;;/q4*-2;4*-3
• InChIKey: RKGDJZVYZGMIQO-UHFFFAOYSA-N
• XLogP: 32.44
• TPSA: 243.97 Ų
• H-Bond Acceptors: 29
• Rotatable Bonds: 21
• Heavy Atoms: 206
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3532.75
LogP ≤ 5	32.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(4-(2,4-difluorobenzene-6-id-1-yl)-2-(5-methylpyrazol-2-id-3-yl)-1-(2,4,6-trimethylphenyl)imidazole);4-(2,4-difluorobenzene-6-id-1-yl)-2-(3-propan-2-ylpyrazol-1-id-5-yl)-1-(2,4,6-trimethylphenyl)imidazole;3-[4-(2,4-difluorobenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-diene;tetrakis(iridium);tetrakis(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide)?

The IUPAC name of bis(4-(2,4-difluorobenzene-6-id-1-yl)-2-(5-methylpyrazol-2-id-3-yl)-1-(2,4,6-trimethylphenyl)imidazole);4-(2,4-difluorobenzene-6-id-1-yl)-2-(3-propan-2-ylpyrazol-1-id-5-yl)-1-(2,4,6-trimethylphenyl)imidazole;3-[4-(2,4-difluorobenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-diene;tetrakis(iridium);tetrakis(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide) (CID 162285725) is bis(4-(2,4-difluorobenzene-6-id-1-yl)-2-(5-methylpyrazol-2-id-3-yl)-1-(2,4,6-trimethylphenyl)imidazole);4-(2,4-difluorobenzene-6-id-1-yl)-2-(3-propan-2-ylpyrazol-1-id-5-yl)-1-(2,4,6-trimethylphenyl)imidazole;3-[4-(2,4-difluorobenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-diene;tetrakis(iridium);tetrakis(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide).

What is the SMILES notation for bis(4-(2,4-difluorobenzene-6-id-1-yl)-2-(5-methylpyrazol-2-id-3-yl)-1-(2,4,6-trimethylphenyl)imidazole);4-(2,4-difluorobenzene-6-id-1-yl)-2-(3-propan-2-ylpyrazol-1-id-5-yl)-1-(2,4,6-trimethylphenyl)imidazole;3-[4-(2,4-difluorobenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-diene;tetrakis(iridium);tetrakis(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide)?

The canonical SMILES for bis(4-(2,4-difluorobenzene-6-id-1-yl)-2-(5-methylpyrazol-2-id-3-yl)-1-(2,4,6-trimethylphenyl)imidazole);4-(2,4-difluorobenzene-6-id-1-yl)-2-(3-propan-2-ylpyrazol-1-id-5-yl)-1-(2,4,6-trimethylphenyl)imidazole;3-[4-(2,4-difluorobenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-diene;tetrakis(iridium);tetrakis(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide) is CN1C=CN(c2[c-]c(N3C=CN(C)[CH-]3)cc(C(F)(F)F)c2)[CH-]1.CN1C=CN(c2[c-]c(N3C=CN(C)[CH-]3)cc(C(F)(F)F)c2)[CH-]1.CN1C=CN(c2[c-]c(N3C=CN(C)[CH-]3)cc(C(F)(F)F)c2)[CH-]1.CN1C=CN(c2[c-]c(N3C=CN(C)[CH-]3)cc(C(F)(F)F)c2)[CH-]1.Cc1cc(C)c(-n2cc(-c3[c-]cc(F)cc3F)nc2-c2cc(C(C)C)n[n-]2)c(C)c1.Cc1cc(C)c(-n2cc(-c3[c-]cc(F)cc3F)nc2-c2cc(C)n[n-]2)c(C)c1.Cc1cc(C)c(-n2cc(-c3[c-]cc(F)cc3F)nc2-c2cc(C)n[n-]2)c(C)c1.Cc1cc(C)c(-n2cc(-c3[c-]cc(F)cc3F)nc2-c2nc(C)n[n-]2)c(C)c1.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of bis(4-(2,4-difluorobenzene-6-id-1-yl)-2-(5-methylpyrazol-2-id-3-yl)-1-(2,4,6-trimethylphenyl)imidazole);4-(2,4-difluorobenzene-6-id-1-yl)-2-(3-propan-2-ylpyrazol-1-id-5-yl)-1-(2,4,6-trimethylphenyl)imidazole;3-[4-(2,4-difluorobenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-diene;tetrakis(iridium);tetrakis(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide)?

The InChIKey is RKGDJZVYZGMIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N4.2C22H18F2N4.C21H17F2N5.4C15H14F3N4.4Ir/c1-13(2)20-11-21(29-28-20)24-27-22(18-7-6-17(25)10-19(18)26)12-30(24)23-15(4)8-14(3)9-16(23)5;2*1-12-7-13(2)21(14(3)8-12)28-11-20(17-6-5-16(23)10-18(17)24)25-22(28)19-9-15(4)26-27-19;1-11-7-12(2)19(13(3)8-11)28-10-18(16-6-5-15(22)9-17(16)23)25-21(28)20-24-14(4)26-27-20;4*1-19-3-5-21(10-19)13-7-12(15(16,17)18)8-14(9-13)22-6-4-20(2)11-22;;;;/h6,8-13H,1-5H3;2*5,7-11H,1-4H3;5,7-10H,1-4H3;4*3-8,10-11H,1-2H3;;;;/q4*-2;4*-3;;;;.

What are the key properties of bis(4-(2,4-difluorobenzene-6-id-1-yl)-2-(5-methylpyrazol-2-id-3-yl)-1-(2,4,6-trimethylphenyl)imidazole);4-(2,4-difluorobenzene-6-id-1-yl)-2-(3-propan-2-ylpyrazol-1-id-5-yl)-1-(2,4,6-trimethylphenyl)imidazole;3-[4-(2,4-difluorobenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-diene;tetrakis(iridium);tetrakis(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide)?

bis(4-(2,4-difluorobenzene-6-id-1-yl)-2-(5-methylpyrazol-2-id-3-yl)-1-(2,4,6-trimethylphenyl)imidazole);4-(2,4-difluorobenzene-6-id-1-yl)-2-(3-propan-2-ylpyrazol-1-id-5-yl)-1-(2,4,6-trimethylphenyl)imidazole;3-[4-(2,4-difluorobenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-diene;tetrakis(iridium);tetrakis(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide) has a molecular weight of 3532.75 g/mol, XLogP of 32.44, 21 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for bis(4-(2,4-difluorobenzene-6-id-1-yl)-2-(5-methylpyrazol-2-id-3-yl)-1-(2,4,6-trimethylphenyl)imidazole);4-(2,4-difluorobenzene-6-id-1-yl)-2-(3-propan-2-ylpyrazol-1-id-5-yl)-1-(2,4,6-trimethylphenyl)imidazole;3-[4-(2,4-difluorobenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-diene;tetrakis(iridium);tetrakis(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide) is sourced from PubChem (CID 162285725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).