tris(iridium);tris(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide);6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-N-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-N-(2,4,6-trimethylphenyl)pyridin-2-amine;6-methyl-3-(trifluoromethyl)-9-[6-[[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]oxy]-2-pyridinyl]-1H-carbazol-1-ide;6-methyl-3-(trifluoromethyl)-9-[6-[2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]propan-2-yl]-2-pyridinyl]-1H-carbazol-1-ide

C123H92F27Ir3N28O-15 — CID 158366588

About tris(iridium);tris(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide);6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-N-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-N-(2,4,6-trimethylphenyl)pyridin-2-amine;6-methyl-3-(trifluoromethyl)-9-[6-[[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]oxy]-2-pyridinyl]-1H-carbazol-1-ide;6-methyl-3-(trifluoromethyl)-9-[6-[2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]propan-2-yl]-2-pyridinyl]-1H-carbazol-1-ide

tris(iridium);tris(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide);6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-N-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-N-(2,4,6-trimethylphenyl)pyridin-2-amine;6-methyl-3-(trifluoromethyl)-9-[6-[[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]oxy]-2-pyridinyl]-1H-carbazol-1-ide;6-methyl-3-(trifluoromethyl)-9-[6-[2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]propan-2-yl]-2-pyridinyl]-1H-carbazol-1-ide (PubChem CID 158366588) has the molecular formula C123H92F27Ir3N28O-15 and a molecular weight of 3067.88 g/mol. Its IUPAC name is tris(iridium);tris(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide);6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-N-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-N-(2,4,6-trimethylphenyl)pyridin-2-amine;6-methyl-3-(trifluoromethyl)-9-[6-[[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]oxy]-2-pyridinyl]-1H-carbazol-1-ide;6-methyl-3-(trifluoromethyl)-9-[6-[2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]propan-2-yl]-2-pyridinyl]-1H-carbazol-1-ide.

Molecular Properties

• Compound Name: tris(iridium);tris(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide);6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-N-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-N-(2,4,6-trimethylphenyl)pyridin-2-amine;6-methyl-3-(trifluoromethyl)-9-[6-[[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]oxy]-2-pyridinyl]-1H-carbazol-1-ide;6-methyl-3-(trifluoromethyl)-9-[6-[2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]propan-2-yl]-2-pyridinyl]-1H-carbazol-1-ide
• PubChem CID: 158366588
• Molecular Formula: C123H92F27Ir3N28O-15
• Molecular Weight: 3067.88 g/mol
• Exact Mass: 3068.65
• IUPAC Name: tris(iridium);tris(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide);6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-N-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-N-(2,4,6-trimethylphenyl)pyridin-2-amine;6-methyl-3-(trifluoromethyl)-9-[6-[[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]oxy]-2-pyridinyl]-1H-carbazol-1-ide;6-methyl-3-(trifluoromethyl)-9-[6-[2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]propan-2-yl]-2-pyridinyl]-1H-carbazol-1-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.Cc1cc(C)c(N(c2cccc(-n3c4[c-]cc(C(F)(F)F)cc4c4cc(C)ccc43)n2)c2nc(C(F)(F)F)n[n-]2)c(C)c1.Cc1ccc2c(c1)c1cc(C(F)(F)F)c[c-]c1n2-c1cccc(C(C)(C)c2nc(C(F)(F)F)n[n-]2)n1.Cc1ccc2c(c1)c1cc(C(F)(F)F)c[c-]c1n2-c1cccc(Oc2nc(C(F)(F)F)n[n-]2)n1.[Ir].[Ir].[Ir]
• InChI: InChI=1S/C31H22F6N6.C25H17F6N5.C22H11F6N5O.3C15H14F3N4.3Ir/c1-16-8-10-23-21(14-16)22-15-20(30(32,33)34)9-11-24(22)42(23)25-6-5-7-26(38-25)43(27-18(3)12-17(2)13-19(27)4)29-39-28(40-41-29)31(35,36)37;1-13-7-9-17-15(11-13)16-12-14(24(26,27)28)8-10-18(16)36(17)20-6-4-5-19(32-20)23(2,3)21-33-22(35-34-21)25(29,30)31;1-11-5-7-15-13(9-11)14-10-12(21(23,24)25)6-8-16(14)33(15)17-3-2-4-18(29-17)34-20-30-19(31-32-20)22(26,27)28;3*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;;;/h5-10,12-15H,1-4H3;4-9,11-12H,1-3H3;2-7,9-10H,1H3;3*3-8,10-11H,1-2H3;;;/q3*-2;3*-3
• InChIKey: YAVOFDUDZZAIHI-UHFFFAOYSA-N
• XLogP: 30.29
• TPSA: 224.45 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 16
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3067.88
LogP ≤ 5	30.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tris(iridium);tris(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide);6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-N-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-N-(2,4,6-trimethylphenyl)pyridin-2-amine;6-methyl-3-(trifluoromethyl)-9-[6-[[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]oxy]-2-pyridinyl]-1H-carbazol-1-ide;6-methyl-3-(trifluoromethyl)-9-[6-[2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]propan-2-yl]-2-pyridinyl]-1H-carbazol-1-ide?

The IUPAC name of tris(iridium);tris(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide);6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-N-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-N-(2,4,6-trimethylphenyl)pyridin-2-amine;6-methyl-3-(trifluoromethyl)-9-[6-[[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]oxy]-2-pyridinyl]-1H-carbazol-1-ide;6-methyl-3-(trifluoromethyl)-9-[6-[2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]propan-2-yl]-2-pyridinyl]-1H-carbazol-1-ide (CID 158366588) is tris(iridium);tris(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide);6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-N-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-N-(2,4,6-trimethylphenyl)pyridin-2-amine;6-methyl-3-(trifluoromethyl)-9-[6-[[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]oxy]-2-pyridinyl]-1H-carbazol-1-ide;6-methyl-3-(trifluoromethyl)-9-[6-[2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]propan-2-yl]-2-pyridinyl]-1H-carbazol-1-ide.

What is the SMILES notation for tris(iridium);tris(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide);6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-N-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-N-(2,4,6-trimethylphenyl)pyridin-2-amine;6-methyl-3-(trifluoromethyl)-9-[6-[[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]oxy]-2-pyridinyl]-1H-carbazol-1-ide;6-methyl-3-(trifluoromethyl)-9-[6-[2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]propan-2-yl]-2-pyridinyl]-1H-carbazol-1-ide?

The canonical SMILES for tris(iridium);tris(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide);6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-N-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-N-(2,4,6-trimethylphenyl)pyridin-2-amine;6-methyl-3-(trifluoromethyl)-9-[6-[[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]oxy]-2-pyridinyl]-1H-carbazol-1-ide;6-methyl-3-(trifluoromethyl)-9-[6-[2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]propan-2-yl]-2-pyridinyl]-1H-carbazol-1-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.Cc1cc(C)c(N(c2cccc(-n3c4[c-]cc(C(F)(F)F)cc4c4cc(C)ccc43)n2)c2nc(C(F)(F)F)n[n-]2)c(C)c1.Cc1ccc2c(c1)c1cc(C(F)(F)F)c[c-]c1n2-c1cccc(C(C)(C)c2nc(C(F)(F)F)n[n-]2)n1.Cc1ccc2c(c1)c1cc(C(F)(F)F)c[c-]c1n2-c1cccc(Oc2nc(C(F)(F)F)n[n-]2)n1.[Ir].[Ir].[Ir].

What is the InChIKey of tris(iridium);tris(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide);6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-N-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-N-(2,4,6-trimethylphenyl)pyridin-2-amine;6-methyl-3-(trifluoromethyl)-9-[6-[[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]oxy]-2-pyridinyl]-1H-carbazol-1-ide;6-methyl-3-(trifluoromethyl)-9-[6-[2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]propan-2-yl]-2-pyridinyl]-1H-carbazol-1-ide?

The InChIKey is YAVOFDUDZZAIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22F6N6.C25H17F6N5.C22H11F6N5O.3C15H14F3N4.3Ir/c1-16-8-10-23-21(14-16)22-15-20(30(32,33)34)9-11-24(22)42(23)25-6-5-7-26(38-25)43(27-18(3)12-17(2)13-19(27)4)29-39-28(40-41-29)31(35,36)37;1-13-7-9-17-15(11-13)16-12-14(24(26,27)28)8-10-18(16)36(17)20-6-4-5-19(32-20)23(2,3)21-33-22(35-34-21)25(29,30)31;1-11-5-7-15-13(9-11)14-10-12(21(23,24)25)6-8-16(14)33(15)17-3-2-4-18(29-17)34-20-30-19(31-32-20)22(26,27)28;3*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;;;/h5-10,12-15H,1-4H3;4-9,11-12H,1-3H3;2-7,9-10H,1H3;3*3-8,10-11H,1-2H3;;;/q3*-2;3*-3;;;.

What are the key properties of tris(iridium);tris(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide);6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-N-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-N-(2,4,6-trimethylphenyl)pyridin-2-amine;6-methyl-3-(trifluoromethyl)-9-[6-[[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]oxy]-2-pyridinyl]-1H-carbazol-1-ide;6-methyl-3-(trifluoromethyl)-9-[6-[2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]propan-2-yl]-2-pyridinyl]-1H-carbazol-1-ide?

tris(iridium);tris(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide);6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-N-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-N-(2,4,6-trimethylphenyl)pyridin-2-amine;6-methyl-3-(trifluoromethyl)-9-[6-[[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]oxy]-2-pyridinyl]-1H-carbazol-1-ide;6-methyl-3-(trifluoromethyl)-9-[6-[2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]propan-2-yl]-2-pyridinyl]-1H-carbazol-1-ide has a molecular weight of 3067.88 g/mol, XLogP of 30.29, 16 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for tris(iridium);tris(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide);6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-N-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-N-(2,4,6-trimethylphenyl)pyridin-2-amine;6-methyl-3-(trifluoromethyl)-9-[6-[[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]oxy]-2-pyridinyl]-1H-carbazol-1-ide;6-methyl-3-(trifluoromethyl)-9-[6-[2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]propan-2-yl]-2-pyridinyl]-1H-carbazol-1-ide is sourced from PubChem (CID 158366588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).