[4-tert-butyl-6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-2-pyridinyl]-dimethyl-[3-(trifluoromethyl)pyrazol-1-id-5-yl]silane;[4-tert-butyl-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;9-[4-tert-butyl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]sulfanyl-2-pyridinyl]-6-methyl-3-(trifluoromethyl)-1H-carbazol-1-ide;tris(iridium);bis(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide);1-methyl-3-[3-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-2H-imidazol-2-ide

C137H122BF24Ir3N24SSi-15 — CID 158298717

About [4-tert-butyl-6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-2-pyridinyl]-dimethyl-[3-(trifluoromethyl)pyrazol-1-id-5-yl]silane;[4-tert-butyl-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;9-[4-tert-butyl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]sulfanyl-2-pyridinyl]-6-methyl-3-(trifluoromethyl)-1H-carbazol-1-ide;tris(iridium);bis(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide);1-methyl-3-[3-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-2H-imidazol-2-ide

[4-tert-butyl-6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-2-pyridinyl]-dimethyl-[3-(trifluoromethyl)pyrazol-1-id-5-yl]silane;[4-tert-butyl-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;9-[4-tert-butyl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]sulfanyl-2-pyridinyl]-6-methyl-3-(trifluoromethyl)-1H-carbazol-1-ide;tris(iridium);bis(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide);1-methyl-3-[3-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-2H-imidazol-2-ide (PubChem CID 158298717) has the molecular formula C137H122BF24Ir3N24SSi-15 and a molecular weight of 3208.22 g/mol. Its IUPAC name is [4-tert-butyl-6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-2-pyridinyl]-dimethyl-[3-(trifluoromethyl)pyrazol-1-id-5-yl]silane;[4-tert-butyl-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;9-[4-tert-butyl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]sulfanyl-2-pyridinyl]-6-methyl-3-(trifluoromethyl)-1H-carbazol-1-ide;tris(iridium);bis(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide);1-methyl-3-[3-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-2H-imidazol-2-ide.

Molecular Properties

• Compound Name: [4-tert-butyl-6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-2-pyridinyl]-dimethyl-[3-(trifluoromethyl)pyrazol-1-id-5-yl]silane;[4-tert-butyl-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;9-[4-tert-butyl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]sulfanyl-2-pyridinyl]-6-methyl-3-(trifluoromethyl)-1H-carbazol-1-ide;tris(iridium);bis(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide);1-methyl-3-[3-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-2H-imidazol-2-ide
• PubChem CID: 158298717
• Molecular Formula: C137H122BF24Ir3N24SSi-15
• Molecular Weight: 3208.22 g/mol
• Exact Mass: 3208.85
• IUPAC Name: [4-tert-butyl-6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-2-pyridinyl]-dimethyl-[3-(trifluoromethyl)pyrazol-1-id-5-yl]silane;[4-tert-butyl-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;9-[4-tert-butyl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]sulfanyl-2-pyridinyl]-6-methyl-3-(trifluoromethyl)-1H-carbazol-1-ide;tris(iridium);bis(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide);1-methyl-3-[3-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-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.Cc1cc(C)c(B(c2cc(C(C)(C)C)cc(-n3c4[c-]cc(C(F)(F)F)cc4c4cc(C)ccc43)n2)c2cc(C(F)(F)F)n[n-]2)c(C)c1.Cc1cc(N2C=CN(C)[CH-]2)[c-]c(N2C=CN(C)[CH-]2)c1.Cc1ccc2c(c1)c1cc(C(F)(F)F)c[c-]c1n2-c1cc(C(C)(C)C)cc(Sc2cc(C(F)(F)F)n[n-]2)n1.Cc1ccc2c(c1)c1cc(C(F)(F)F)c[c-]c1n2-c1cc(C(C)(C)C)cc([Si](C)(C)c2cc(C(F)(F)F)n[n-]2)n1.[Ir].[Ir].[Ir]
• InChI: InChI=1S/C36H31BF6N4.C29H26F6N4Si.C27H20F6N4S.2C15H14F3N4.C15H17N4.3Ir/c1-19-8-10-27-25(14-19)26-15-23(35(38,39)40)9-11-28(26)47(27)32-17-24(34(5,6)7)16-30(44-32)37(31-18-29(45-46-31)36(41,42)43)33-21(3)12-20(2)13-22(33)4;1-16-7-9-21-19(11-16)20-12-17(28(30,31)32)8-10-22(20)39(21)24-13-18(27(2,3)4)14-25(36-24)40(5,6)26-15-23(37-38-26)29(33,34)35;1-14-5-7-19-17(9-14)18-10-15(26(28,29)30)6-8-20(18)37(19)22-11-16(25(2,3)4)12-23(34-22)38-24-13-21(35-36-24)27(31,32)33;2*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;1-13-8-14(18-6-4-16(2)11-18)10-15(9-13)19-7-5-17(3)12-19;;;/h8-10,12-18H,1-7H3;7-9,11-15H,1-6H3;5-7,9-13H,1-4H3;2*3-8,10-11H,1-2H3;4-9,11-12H,1-3H3;;;/q3*-2;3*-3
• InChIKey: LQSHAPBIRZQHEU-UHFFFAOYSA-N
• XLogP: 31.19
• TPSA: 173.31 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 16
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3208.22
LogP ≤ 5	31.19
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 [4-tert-butyl-6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-2-pyridinyl]-dimethyl-[3-(trifluoromethyl)pyrazol-1-id-5-yl]silane;[4-tert-butyl-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;9-[4-tert-butyl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]sulfanyl-2-pyridinyl]-6-methyl-3-(trifluoromethyl)-1H-carbazol-1-ide;tris(iridium);bis(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide);1-methyl-3-[3-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-2H-imidazol-2-ide?

The IUPAC name of [4-tert-butyl-6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-2-pyridinyl]-dimethyl-[3-(trifluoromethyl)pyrazol-1-id-5-yl]silane;[4-tert-butyl-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;9-[4-tert-butyl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]sulfanyl-2-pyridinyl]-6-methyl-3-(trifluoromethyl)-1H-carbazol-1-ide;tris(iridium);bis(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide);1-methyl-3-[3-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-2H-imidazol-2-ide (CID 158298717) is [4-tert-butyl-6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-2-pyridinyl]-dimethyl-[3-(trifluoromethyl)pyrazol-1-id-5-yl]silane;[4-tert-butyl-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;9-[4-tert-butyl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]sulfanyl-2-pyridinyl]-6-methyl-3-(trifluoromethyl)-1H-carbazol-1-ide;tris(iridium);bis(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide);1-methyl-3-[3-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-2H-imidazol-2-ide.

What is the SMILES notation for [4-tert-butyl-6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-2-pyridinyl]-dimethyl-[3-(trifluoromethyl)pyrazol-1-id-5-yl]silane;[4-tert-butyl-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;9-[4-tert-butyl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]sulfanyl-2-pyridinyl]-6-methyl-3-(trifluoromethyl)-1H-carbazol-1-ide;tris(iridium);bis(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide);1-methyl-3-[3-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-2H-imidazol-2-ide?

The canonical SMILES for [4-tert-butyl-6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-2-pyridinyl]-dimethyl-[3-(trifluoromethyl)pyrazol-1-id-5-yl]silane;[4-tert-butyl-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;9-[4-tert-butyl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]sulfanyl-2-pyridinyl]-6-methyl-3-(trifluoromethyl)-1H-carbazol-1-ide;tris(iridium);bis(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide);1-methyl-3-[3-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-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.Cc1cc(C)c(B(c2cc(C(C)(C)C)cc(-n3c4[c-]cc(C(F)(F)F)cc4c4cc(C)ccc43)n2)c2cc(C(F)(F)F)n[n-]2)c(C)c1.Cc1cc(N2C=CN(C)[CH-]2)[c-]c(N2C=CN(C)[CH-]2)c1.Cc1ccc2c(c1)c1cc(C(F)(F)F)c[c-]c1n2-c1cc(C(C)(C)C)cc(Sc2cc(C(F)(F)F)n[n-]2)n1.Cc1ccc2c(c1)c1cc(C(F)(F)F)c[c-]c1n2-c1cc(C(C)(C)C)cc([Si](C)(C)c2cc(C(F)(F)F)n[n-]2)n1.[Ir].[Ir].[Ir].

What is the InChIKey of [4-tert-butyl-6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-2-pyridinyl]-dimethyl-[3-(trifluoromethyl)pyrazol-1-id-5-yl]silane;[4-tert-butyl-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;9-[4-tert-butyl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]sulfanyl-2-pyridinyl]-6-methyl-3-(trifluoromethyl)-1H-carbazol-1-ide;tris(iridium);bis(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide);1-methyl-3-[3-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-2H-imidazol-2-ide?

The InChIKey is LQSHAPBIRZQHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H31BF6N4.C29H26F6N4Si.C27H20F6N4S.2C15H14F3N4.C15H17N4.3Ir/c1-19-8-10-27-25(14-19)26-15-23(35(38,39)40)9-11-28(26)47(27)32-17-24(34(5,6)7)16-30(44-32)37(31-18-29(45-46-31)36(41,42)43)33-21(3)12-20(2)13-22(33)4;1-16-7-9-21-19(11-16)20-12-17(28(30,31)32)8-10-22(20)39(21)24-13-18(27(2,3)4)14-25(36-24)40(5,6)26-15-23(37-38-26)29(33,34)35;1-14-5-7-19-17(9-14)18-10-15(26(28,29)30)6-8-20(18)37(19)22-11-16(25(2,3)4)12-23(34-22)38-24-13-21(35-36-24)27(31,32)33;2*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;1-13-8-14(18-6-4-16(2)11-18)10-15(9-13)19-7-5-17(3)12-19;;;/h8-10,12-18H,1-7H3;7-9,11-15H,1-6H3;5-7,9-13H,1-4H3;2*3-8,10-11H,1-2H3;4-9,11-12H,1-3H3;;;/q3*-2;3*-3;;;.

What are the key properties of [4-tert-butyl-6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-2-pyridinyl]-dimethyl-[3-(trifluoromethyl)pyrazol-1-id-5-yl]silane;[4-tert-butyl-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;9-[4-tert-butyl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]sulfanyl-2-pyridinyl]-6-methyl-3-(trifluoromethyl)-1H-carbazol-1-ide;tris(iridium);bis(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide);1-methyl-3-[3-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-2H-imidazol-2-ide?

[4-tert-butyl-6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-2-pyridinyl]-dimethyl-[3-(trifluoromethyl)pyrazol-1-id-5-yl]silane;[4-tert-butyl-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;9-[4-tert-butyl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]sulfanyl-2-pyridinyl]-6-methyl-3-(trifluoromethyl)-1H-carbazol-1-ide;tris(iridium);bis(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide);1-methyl-3-[3-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-2H-imidazol-2-ide has a molecular weight of 3208.22 g/mol, XLogP of 31.19, 16 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for [4-tert-butyl-6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-2-pyridinyl]-dimethyl-[3-(trifluoromethyl)pyrazol-1-id-5-yl]silane;[4-tert-butyl-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;9-[4-tert-butyl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]sulfanyl-2-pyridinyl]-6-methyl-3-(trifluoromethyl)-1H-carbazol-1-ide;tris(iridium);bis(1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide);1-methyl-3-[3-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-2H-imidazol-2-ide is sourced from PubChem (CID 158298717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).