4-tert-butyl-6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-N-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-N-(2,4,6-trimethylphenyl)pyridin-2-amine;9-[4-tert-butyl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]oxy-2-pyridinyl]-6-methyl-3-(trifluoromethyl)-1H-carbazol-1-ide;9-[4-tert-butyl-6-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]propan-2-yl]-2-pyridinyl]-6-methyl-3-(trifluoromethyl)-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)

C138H119F27Ir3N25O-15 — CID 160603783

About 4-tert-butyl-6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-N-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-N-(2,4,6-trimethylphenyl)pyridin-2-amine;9-[4-tert-butyl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]oxy-2-pyridinyl]-6-methyl-3-(trifluoromethyl)-1H-carbazol-1-ide;9-[4-tert-butyl-6-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]propan-2-yl]-2-pyridinyl]-6-methyl-3-(trifluoromethyl)-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)

4-tert-butyl-6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-N-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-N-(2,4,6-trimethylphenyl)pyridin-2-amine;9-[4-tert-butyl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]oxy-2-pyridinyl]-6-methyl-3-(trifluoromethyl)-1H-carbazol-1-ide;9-[4-tert-butyl-6-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]propan-2-yl]-2-pyridinyl]-6-methyl-3-(trifluoromethyl)-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) (PubChem CID 160603783) has the molecular formula C138H119F27Ir3N25O-15 and a molecular weight of 3233.24 g/mol. Its IUPAC name is 4-tert-butyl-6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-N-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-N-(2,4,6-trimethylphenyl)pyridin-2-amine;9-[4-tert-butyl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]oxy-2-pyridinyl]-6-methyl-3-(trifluoromethyl)-1H-carbazol-1-ide;9-[4-tert-butyl-6-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]propan-2-yl]-2-pyridinyl]-6-methyl-3-(trifluoromethyl)-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).

Molecular Properties

• Compound Name: 4-tert-butyl-6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-N-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-N-(2,4,6-trimethylphenyl)pyridin-2-amine;9-[4-tert-butyl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]oxy-2-pyridinyl]-6-methyl-3-(trifluoromethyl)-1H-carbazol-1-ide;9-[4-tert-butyl-6-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]propan-2-yl]-2-pyridinyl]-6-methyl-3-(trifluoromethyl)-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)
• PubChem CID: 160603783
• Molecular Formula: C138H119F27Ir3N25O-15
• Molecular Weight: 3233.24 g/mol
• Exact Mass: 3233.86
• IUPAC Name: 4-tert-butyl-6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-N-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-N-(2,4,6-trimethylphenyl)pyridin-2-amine;9-[4-tert-butyl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]oxy-2-pyridinyl]-6-methyl-3-(trifluoromethyl)-1H-carbazol-1-ide;9-[4-tert-butyl-6-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]propan-2-yl]-2-pyridinyl]-6-methyl-3-(trifluoromethyl)-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)
• 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(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.Cc1ccc2c(c1)c1cc(C(F)(F)F)c[c-]c1n2-c1cc(C(C)(C)C)cc(C(C)(C)c2cc(C(F)(F)F)n[n-]2)n1.Cc1ccc2c(c1)c1cc(C(F)(F)F)c[c-]c1n2-c1cc(C(C)(C)C)cc(Oc2cc(C(F)(F)F)n[n-]2)n1.[Ir].[Ir].[Ir]
• InChI: InChI=1S/C36H31F6N5.C30H26F6N4.C27H20F6N4O.3C15H14F3N4.3Ir/c1-19-8-10-27-25(14-19)26-15-23(35(37,38)39)9-11-28(26)46(27)30-16-24(34(5,6)7)17-31(43-30)47(32-18-29(44-45-32)36(40,41)42)33-21(3)12-20(2)13-22(33)4;1-16-7-9-21-19(11-16)20-12-17(29(31,32)33)8-10-22(20)40(21)26-14-18(27(2,3)4)13-23(37-26)28(5,6)24-15-25(39-38-24)30(34,35)36;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;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;;;/h8-10,12-18H,1-7H3;7-9,11-15H,1-6H3;5-7,9-13H,1-4H3;3*3-8,10-11H,1-2H3;;;/q3*-2;3*-3
• InChIKey: VVYWOROBBFJWRH-UHFFFAOYSA-N
• XLogP: 36.00
• TPSA: 185.78 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 16
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3233.24
LogP ≤ 5	36.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', '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]-N-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-N-(2,4,6-trimethylphenyl)pyridin-2-amine;9-[4-tert-butyl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]oxy-2-pyridinyl]-6-methyl-3-(trifluoromethyl)-1H-carbazol-1-ide;9-[4-tert-butyl-6-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]propan-2-yl]-2-pyridinyl]-6-methyl-3-(trifluoromethyl)-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)?

The IUPAC name of 4-tert-butyl-6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-N-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-N-(2,4,6-trimethylphenyl)pyridin-2-amine;9-[4-tert-butyl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]oxy-2-pyridinyl]-6-methyl-3-(trifluoromethyl)-1H-carbazol-1-ide;9-[4-tert-butyl-6-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]propan-2-yl]-2-pyridinyl]-6-methyl-3-(trifluoromethyl)-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) (CID 160603783) is 4-tert-butyl-6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-N-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-N-(2,4,6-trimethylphenyl)pyridin-2-amine;9-[4-tert-butyl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]oxy-2-pyridinyl]-6-methyl-3-(trifluoromethyl)-1H-carbazol-1-ide;9-[4-tert-butyl-6-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]propan-2-yl]-2-pyridinyl]-6-methyl-3-(trifluoromethyl)-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).

What is the SMILES notation for 4-tert-butyl-6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-N-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-N-(2,4,6-trimethylphenyl)pyridin-2-amine;9-[4-tert-butyl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]oxy-2-pyridinyl]-6-methyl-3-(trifluoromethyl)-1H-carbazol-1-ide;9-[4-tert-butyl-6-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]propan-2-yl]-2-pyridinyl]-6-methyl-3-(trifluoromethyl)-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)?

The canonical SMILES for 4-tert-butyl-6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-N-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-N-(2,4,6-trimethylphenyl)pyridin-2-amine;9-[4-tert-butyl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]oxy-2-pyridinyl]-6-methyl-3-(trifluoromethyl)-1H-carbazol-1-ide;9-[4-tert-butyl-6-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]propan-2-yl]-2-pyridinyl]-6-methyl-3-(trifluoromethyl)-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) 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(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.Cc1ccc2c(c1)c1cc(C(F)(F)F)c[c-]c1n2-c1cc(C(C)(C)C)cc(C(C)(C)c2cc(C(F)(F)F)n[n-]2)n1.Cc1ccc2c(c1)c1cc(C(F)(F)F)c[c-]c1n2-c1cc(C(C)(C)C)cc(Oc2cc(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]-N-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-N-(2,4,6-trimethylphenyl)pyridin-2-amine;9-[4-tert-butyl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]oxy-2-pyridinyl]-6-methyl-3-(trifluoromethyl)-1H-carbazol-1-ide;9-[4-tert-butyl-6-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]propan-2-yl]-2-pyridinyl]-6-methyl-3-(trifluoromethyl)-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)?

The InChIKey is VVYWOROBBFJWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H31F6N5.C30H26F6N4.C27H20F6N4O.3C15H14F3N4.3Ir/c1-19-8-10-27-25(14-19)26-15-23(35(37,38)39)9-11-28(26)46(27)30-16-24(34(5,6)7)17-31(43-30)47(32-18-29(44-45-32)36(40,41)42)33-21(3)12-20(2)13-22(33)4;1-16-7-9-21-19(11-16)20-12-17(29(31,32)33)8-10-22(20)40(21)26-14-18(27(2,3)4)13-23(37-26)28(5,6)24-15-25(39-38-24)30(34,35)36;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;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;;;/h8-10,12-18H,1-7H3;7-9,11-15H,1-6H3;5-7,9-13H,1-4H3;3*3-8,10-11H,1-2H3;;;/q3*-2;3*-3;;;.

What are the key properties of 4-tert-butyl-6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-N-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-N-(2,4,6-trimethylphenyl)pyridin-2-amine;9-[4-tert-butyl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]oxy-2-pyridinyl]-6-methyl-3-(trifluoromethyl)-1H-carbazol-1-ide;9-[4-tert-butyl-6-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]propan-2-yl]-2-pyridinyl]-6-methyl-3-(trifluoromethyl)-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)?

4-tert-butyl-6-[6-methyl-3-(trifluoromethyl)-1H-carbazol-1-id-9-yl]-N-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-N-(2,4,6-trimethylphenyl)pyridin-2-amine;9-[4-tert-butyl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]oxy-2-pyridinyl]-6-methyl-3-(trifluoromethyl)-1H-carbazol-1-ide;9-[4-tert-butyl-6-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]propan-2-yl]-2-pyridinyl]-6-methyl-3-(trifluoromethyl)-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) has a molecular weight of 3233.24 g/mol, XLogP of 36.00, 16 rotatable bonds, 0 hydrogen bond donors, and 23 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]-N-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-N-(2,4,6-trimethylphenyl)pyridin-2-amine;9-[4-tert-butyl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]oxy-2-pyridinyl]-6-methyl-3-(trifluoromethyl)-1H-carbazol-1-ide;9-[4-tert-butyl-6-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]propan-2-yl]-2-pyridinyl]-6-methyl-3-(trifluoromethyl)-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) is sourced from PubChem (CID 160603783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).