dimethyl-[6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-2-pyridinyl]-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]silane;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]-2-pyridinyl]-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-(2,4,6-trimethylphenyl)borane;6-methyl-3-(trifluoromethyl)-9-[6-[[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]sulfanyl]-2-pyridinyl]-1H-carbazol-1-ide

C122H92BF27Ir3N27SSi-15 — CID 161054768

About dimethyl-[6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-2-pyridinyl]-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]silane;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]-2-pyridinyl]-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-(2,4,6-trimethylphenyl)borane;6-methyl-3-(trifluoromethyl)-9-[6-[[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]sulfanyl]-2-pyridinyl]-1H-carbazol-1-ide

dimethyl-[6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-2-pyridinyl]-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]silane;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]-2-pyridinyl]-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-(2,4,6-trimethylphenyl)borane;6-methyl-3-(trifluoromethyl)-9-[6-[[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]sulfanyl]-2-pyridinyl]-1H-carbazol-1-ide (PubChem CID 161054768) has the molecular formula C122H92BF27Ir3N27SSi-15 and a molecular weight of 3096.83 g/mol. Its IUPAC name is dimethyl-[6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-2-pyridinyl]-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]silane;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]-2-pyridinyl]-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-(2,4,6-trimethylphenyl)borane;6-methyl-3-(trifluoromethyl)-9-[6-[[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]sulfanyl]-2-pyridinyl]-1H-carbazol-1-ide.

Molecular Properties

• Compound Name: dimethyl-[6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-2-pyridinyl]-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]silane;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]-2-pyridinyl]-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-(2,4,6-trimethylphenyl)borane;6-methyl-3-(trifluoromethyl)-9-[6-[[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]sulfanyl]-2-pyridinyl]-1H-carbazol-1-ide
• PubChem CID: 161054768
• Molecular Formula: C122H92BF27Ir3N27SSi-15
• Molecular Weight: 3096.83 g/mol
• Exact Mass: 3097.62
• IUPAC Name: dimethyl-[6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-2-pyridinyl]-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]silane;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]-2-pyridinyl]-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-(2,4,6-trimethylphenyl)borane;6-methyl-3-(trifluoromethyl)-9-[6-[[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]sulfanyl]-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(B(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(Sc2nc(C(F)(F)F)n[n-]2)n1.Cc1ccc2c(c1)c1cc(C(F)(F)F)c[c-]c1n2-c1cccc([Si](C)(C)c2nc(C(F)(F)F)n[n-]2)n1.[Ir].[Ir].[Ir]
• InChI: InChI=1S/C31H22BF6N5.C24H17F6N5Si.C22H11F6N5S.3C15H14F3N4.3Ir/c1-16-8-10-23-21(14-16)22-15-20(30(33,34)35)9-11-24(22)43(23)26-7-5-6-25(39-26)32(27-18(3)12-17(2)13-19(27)4)29-40-28(41-42-29)31(36,37)38;1-13-7-9-17-15(11-13)16-12-14(23(25,26)27)8-10-18(16)35(17)19-5-4-6-20(31-19)36(2,3)22-32-21(33-34-22)24(28,29)30;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: MYMBFCHXCAOUQI-UHFFFAOYSA-N
• XLogP: 26.19
• TPSA: 211.98 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 16
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3096.83
LogP ≤ 5	26.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of dimethyl-[6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-2-pyridinyl]-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]silane;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]-2-pyridinyl]-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-(2,4,6-trimethylphenyl)borane;6-methyl-3-(trifluoromethyl)-9-[6-[[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]sulfanyl]-2-pyridinyl]-1H-carbazol-1-ide?

The IUPAC name of dimethyl-[6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-2-pyridinyl]-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]silane;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]-2-pyridinyl]-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-(2,4,6-trimethylphenyl)borane;6-methyl-3-(trifluoromethyl)-9-[6-[[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]sulfanyl]-2-pyridinyl]-1H-carbazol-1-ide (CID 161054768) is dimethyl-[6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-2-pyridinyl]-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]silane;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]-2-pyridinyl]-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-(2,4,6-trimethylphenyl)borane;6-methyl-3-(trifluoromethyl)-9-[6-[[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]sulfanyl]-2-pyridinyl]-1H-carbazol-1-ide.

What is the SMILES notation for dimethyl-[6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-2-pyridinyl]-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]silane;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]-2-pyridinyl]-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-(2,4,6-trimethylphenyl)borane;6-methyl-3-(trifluoromethyl)-9-[6-[[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]sulfanyl]-2-pyridinyl]-1H-carbazol-1-ide?

The canonical SMILES for dimethyl-[6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-2-pyridinyl]-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]silane;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]-2-pyridinyl]-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-(2,4,6-trimethylphenyl)borane;6-methyl-3-(trifluoromethyl)-9-[6-[[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]sulfanyl]-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(B(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(Sc2nc(C(F)(F)F)n[n-]2)n1.Cc1ccc2c(c1)c1cc(C(F)(F)F)c[c-]c1n2-c1cccc([Si](C)(C)c2nc(C(F)(F)F)n[n-]2)n1.[Ir].[Ir].[Ir].

What is the InChIKey of dimethyl-[6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-2-pyridinyl]-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]silane;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]-2-pyridinyl]-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-(2,4,6-trimethylphenyl)borane;6-methyl-3-(trifluoromethyl)-9-[6-[[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]sulfanyl]-2-pyridinyl]-1H-carbazol-1-ide?

The InChIKey is MYMBFCHXCAOUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22BF6N5.C24H17F6N5Si.C22H11F6N5S.3C15H14F3N4.3Ir/c1-16-8-10-23-21(14-16)22-15-20(30(33,34)35)9-11-24(22)43(23)26-7-5-6-25(39-26)32(27-18(3)12-17(2)13-19(27)4)29-40-28(41-42-29)31(36,37)38;1-13-7-9-17-15(11-13)16-12-14(23(25,26)27)8-10-18(16)35(17)19-5-4-6-20(31-19)36(2,3)22-32-21(33-34-22)24(28,29)30;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 dimethyl-[6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-2-pyridinyl]-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]silane;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]-2-pyridinyl]-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-(2,4,6-trimethylphenyl)borane;6-methyl-3-(trifluoromethyl)-9-[6-[[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]sulfanyl]-2-pyridinyl]-1H-carbazol-1-ide?

dimethyl-[6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-2-pyridinyl]-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]silane;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]-2-pyridinyl]-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-(2,4,6-trimethylphenyl)borane;6-methyl-3-(trifluoromethyl)-9-[6-[[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]sulfanyl]-2-pyridinyl]-1H-carbazol-1-ide has a molecular weight of 3096.83 g/mol, XLogP of 26.19, 16 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for dimethyl-[6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-2-pyridinyl]-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]silane;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]-2-pyridinyl]-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-(2,4,6-trimethylphenyl)borane;6-methyl-3-(trifluoromethyl)-9-[6-[[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]sulfanyl]-2-pyridinyl]-1H-carbazol-1-ide is sourced from PubChem (CID 161054768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).