dimethyl-[6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-2-pyridinyl]-[3-(trifluoromethyl)pyrazol-1-id-5-yl]silane;tris(1-[3-(3,5-dimethylpyrazol-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-3,5-dimethylpyrazole);tris(iridium(3+));[6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-2-pyridinyl]-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-(2,4,6-trimethylphenyl)borane;6-methyl-3-(trifluoromethyl)-9-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]sulfanyl-2-pyridinyl]-1H-carbazol-1-ide

C131H101BF27Ir3N24SSi — CID 158475878

About dimethyl-[6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-2-pyridinyl]-[3-(trifluoromethyl)pyrazol-1-id-5-yl]silane;tris(1-[3-(3,5-dimethylpyrazol-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-3,5-dimethylpyrazole);tris(iridium(3+));[6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-2-pyridinyl]-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-(2,4,6-trimethylphenyl)borane;6-methyl-3-(trifluoromethyl)-9-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]sulfanyl-2-pyridinyl]-1H-carbazol-1-ide

dimethyl-[6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-2-pyridinyl]-[3-(trifluoromethyl)pyrazol-1-id-5-yl]silane;tris(1-[3-(3,5-dimethylpyrazol-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-3,5-dimethylpyrazole);tris(iridium(3+));[6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-2-pyridinyl]-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-(2,4,6-trimethylphenyl)borane;6-methyl-3-(trifluoromethyl)-9-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]sulfanyl-2-pyridinyl]-1H-carbazol-1-ide (PubChem CID 158475878) has the molecular formula C131H101BF27Ir3N24SSi and a molecular weight of 3171.98 g/mol. Its IUPAC name is dimethyl-[6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-2-pyridinyl]-[3-(trifluoromethyl)pyrazol-1-id-5-yl]silane;tris(1-[3-(3,5-dimethylpyrazol-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-3,5-dimethylpyrazole);tris(iridium(3+));[6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-2-pyridinyl]-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-(2,4,6-trimethylphenyl)borane;6-methyl-3-(trifluoromethyl)-9-[6-[3-(trifluoromethyl)pyrazol-1-id-5-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]-[3-(trifluoromethyl)pyrazol-1-id-5-yl]silane;tris(1-[3-(3,5-dimethylpyrazol-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-3,5-dimethylpyrazole);tris(iridium(3+));[6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-2-pyridinyl]-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-(2,4,6-trimethylphenyl)borane;6-methyl-3-(trifluoromethyl)-9-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]sulfanyl-2-pyridinyl]-1H-carbazol-1-ide
• PubChem CID: 158475878
• Molecular Formula: C131H101BF27Ir3N24SSi
• Molecular Weight: 3171.98 g/mol
• Exact Mass: 3172.67
• IUPAC Name: dimethyl-[6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-2-pyridinyl]-[3-(trifluoromethyl)pyrazol-1-id-5-yl]silane;tris(1-[3-(3,5-dimethylpyrazol-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-3,5-dimethylpyrazole);tris(iridium(3+));[6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-2-pyridinyl]-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-(2,4,6-trimethylphenyl)borane;6-methyl-3-(trifluoromethyl)-9-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]sulfanyl-2-pyridinyl]-1H-carbazol-1-ide
• SMILES: Cc1cc(C)c(B(c2cccc(-n3c4[c-]cc(C(F)(F)F)cc4c4cc(C)ccc43)n2)c2cc(C(F)(F)F)n[n-]2)c(C)c1.Cc1cc(C)n(-c2[c-]c(-n3nc(C)cc3C)cc(C(F)(F)F)c2)n1.Cc1cc(C)n(-c2[c-]c(-n3nc(C)cc3C)cc(C(F)(F)F)c2)n1.Cc1cc(C)n(-c2[c-]c(-n3nc(C)cc3C)cc(C(F)(F)F)c2)n1.Cc1ccc2c(c1)c1cc(C(F)(F)F)c[c-]c1n2-c1cccc(Sc2cc(C(F)(F)F)n[n-]2)n1.Cc1ccc2c(c1)c1cc(C(F)(F)F)c[c-]c1n2-c1cccc([Si](C)(C)c2cc(C(F)(F)F)n[n-]2)n1.[Ir+3].[Ir+3].[Ir+3]
• InChI: InChI=1S/C32H23BF6N4.C25H18F6N4Si.C23H12F6N4S.3C17H16F3N4.3Ir/c1-17-8-10-24-22(14-17)23-15-21(31(34,35)36)9-11-25(23)43(24)29-7-5-6-27(40-29)33(28-16-26(41-42-28)32(37,38)39)30-19(3)12-18(2)13-20(30)4;1-14-7-9-18-16(11-14)17-12-15(24(26,27)28)8-10-19(17)35(18)21-5-4-6-22(32-21)36(2,3)23-13-20(33-34-23)25(29,30)31;1-12-5-7-16-14(9-12)15-10-13(22(24,25)26)6-8-17(15)33(16)19-3-2-4-20(30-19)34-21-11-18(31-32-21)23(27,28)29;3*1-10-5-12(3)23(21-10)15-7-14(17(18,19)20)8-16(9-15)24-13(4)6-11(2)22-24;;;/h5-10,12-16H,1-4H3;4-9,11-13H,1-3H3;2-7,9-11H,1H3;3*5-8H,1-4H3;;;/q3*-2;3*-1;3*+3
• InChIKey: FPVJUPSPYYNWAL-UHFFFAOYSA-N
• XLogP: 30.77
• TPSA: 241.35 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 16
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3171.98
LogP ≤ 5	30.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

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]-[3-(trifluoromethyl)pyrazol-1-id-5-yl]silane;tris(1-[3-(3,5-dimethylpyrazol-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-3,5-dimethylpyrazole);tris(iridium(3+));[6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-2-pyridinyl]-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-(2,4,6-trimethylphenyl)borane;6-methyl-3-(trifluoromethyl)-9-[6-[3-(trifluoromethyl)pyrazol-1-id-5-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]-[3-(trifluoromethyl)pyrazol-1-id-5-yl]silane;tris(1-[3-(3,5-dimethylpyrazol-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-3,5-dimethylpyrazole);tris(iridium(3+));[6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-2-pyridinyl]-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-(2,4,6-trimethylphenyl)borane;6-methyl-3-(trifluoromethyl)-9-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]sulfanyl-2-pyridinyl]-1H-carbazol-1-ide (CID 158475878) is dimethyl-[6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-2-pyridinyl]-[3-(trifluoromethyl)pyrazol-1-id-5-yl]silane;tris(1-[3-(3,5-dimethylpyrazol-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-3,5-dimethylpyrazole);tris(iridium(3+));[6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-2-pyridinyl]-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-(2,4,6-trimethylphenyl)borane;6-methyl-3-(trifluoromethyl)-9-[6-[3-(trifluoromethyl)pyrazol-1-id-5-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]-[3-(trifluoromethyl)pyrazol-1-id-5-yl]silane;tris(1-[3-(3,5-dimethylpyrazol-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-3,5-dimethylpyrazole);tris(iridium(3+));[6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-2-pyridinyl]-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-(2,4,6-trimethylphenyl)borane;6-methyl-3-(trifluoromethyl)-9-[6-[3-(trifluoromethyl)pyrazol-1-id-5-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]-[3-(trifluoromethyl)pyrazol-1-id-5-yl]silane;tris(1-[3-(3,5-dimethylpyrazol-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-3,5-dimethylpyrazole);tris(iridium(3+));[6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-2-pyridinyl]-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-(2,4,6-trimethylphenyl)borane;6-methyl-3-(trifluoromethyl)-9-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]sulfanyl-2-pyridinyl]-1H-carbazol-1-ide is Cc1cc(C)c(B(c2cccc(-n3c4[c-]cc(C(F)(F)F)cc4c4cc(C)ccc43)n2)c2cc(C(F)(F)F)n[n-]2)c(C)c1.Cc1cc(C)n(-c2[c-]c(-n3nc(C)cc3C)cc(C(F)(F)F)c2)n1.Cc1cc(C)n(-c2[c-]c(-n3nc(C)cc3C)cc(C(F)(F)F)c2)n1.Cc1cc(C)n(-c2[c-]c(-n3nc(C)cc3C)cc(C(F)(F)F)c2)n1.Cc1ccc2c(c1)c1cc(C(F)(F)F)c[c-]c1n2-c1cccc(Sc2cc(C(F)(F)F)n[n-]2)n1.Cc1ccc2c(c1)c1cc(C(F)(F)F)c[c-]c1n2-c1cccc([Si](C)(C)c2cc(C(F)(F)F)n[n-]2)n1.[Ir+3].[Ir+3].[Ir+3].

What is the InChIKey of dimethyl-[6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-2-pyridinyl]-[3-(trifluoromethyl)pyrazol-1-id-5-yl]silane;tris(1-[3-(3,5-dimethylpyrazol-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-3,5-dimethylpyrazole);tris(iridium(3+));[6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-2-pyridinyl]-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-(2,4,6-trimethylphenyl)borane;6-methyl-3-(trifluoromethyl)-9-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]sulfanyl-2-pyridinyl]-1H-carbazol-1-ide?

The InChIKey is FPVJUPSPYYNWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23BF6N4.C25H18F6N4Si.C23H12F6N4S.3C17H16F3N4.3Ir/c1-17-8-10-24-22(14-17)23-15-21(31(34,35)36)9-11-25(23)43(24)29-7-5-6-27(40-29)33(28-16-26(41-42-28)32(37,38)39)30-19(3)12-18(2)13-20(30)4;1-14-7-9-18-16(11-14)17-12-15(24(26,27)28)8-10-19(17)35(18)21-5-4-6-22(32-21)36(2,3)23-13-20(33-34-23)25(29,30)31;1-12-5-7-16-14(9-12)15-10-13(22(24,25)26)6-8-17(15)33(16)19-3-2-4-20(30-19)34-21-11-18(31-32-21)23(27,28)29;3*1-10-5-12(3)23(21-10)15-7-14(17(18,19)20)8-16(9-15)24-13(4)6-11(2)22-24;;;/h5-10,12-16H,1-4H3;4-9,11-13H,1-3H3;2-7,9-11H,1H3;3*5-8H,1-4H3;;;/q3*-2;3*-1;3*+3.

What are the key properties of dimethyl-[6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-2-pyridinyl]-[3-(trifluoromethyl)pyrazol-1-id-5-yl]silane;tris(1-[3-(3,5-dimethylpyrazol-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-3,5-dimethylpyrazole);tris(iridium(3+));[6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-2-pyridinyl]-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-(2,4,6-trimethylphenyl)borane;6-methyl-3-(trifluoromethyl)-9-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]sulfanyl-2-pyridinyl]-1H-carbazol-1-ide?

dimethyl-[6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-2-pyridinyl]-[3-(trifluoromethyl)pyrazol-1-id-5-yl]silane;tris(1-[3-(3,5-dimethylpyrazol-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-3,5-dimethylpyrazole);tris(iridium(3+));[6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-2-pyridinyl]-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-(2,4,6-trimethylphenyl)borane;6-methyl-3-(trifluoromethyl)-9-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]sulfanyl-2-pyridinyl]-1H-carbazol-1-ide has a molecular weight of 3171.98 g/mol, XLogP of 30.77, 16 rotatable bonds, 0 hydrogen bond donors, and 22 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]-[3-(trifluoromethyl)pyrazol-1-id-5-yl]silane;tris(1-[3-(3,5-dimethylpyrazol-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-3,5-dimethylpyrazole);tris(iridium(3+));[6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-2-pyridinyl]-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-(2,4,6-trimethylphenyl)borane;6-methyl-3-(trifluoromethyl)-9-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]sulfanyl-2-pyridinyl]-1H-carbazol-1-ide is sourced from PubChem (CID 158475878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).