4-[4-[4-(1-deuterio-2,2,4,4,6,6-hexamethylcyclohexyl)phenyl]-2-methyl-6-(trideuteriomethyl)phenyl]-2-phenyl-5-(trideuteriomethyl)pyridine;4-[4-[4-(1-deuterio-2,2,4,4-tetramethylcyclohexyl)phenyl]-2-methyl-6-(trideuteriomethyl)phenyl]-2-phenyl-5-(trideuteriomethyl)pyridine;4-[4-[4-(1-deuterio-2,2,6,6-tetramethylcyclohexyl)phenyl]-2-methyl-6-(trideuteriomethyl)phenyl]-2-phenyl-5-(trideuteriomethyl)pyridine;tris(5-(1,1-dideuterio-2,2-dimethylpropyl)-4-methyl-2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);tris(iridium)

C182H202Ir3N6-6 — CID 158299288

About 4-[4-[4-(1-deuterio-2,2,4,4,6,6-hexamethylcyclohexyl)phenyl]-2-methyl-6-(trideuteriomethyl)phenyl]-2-phenyl-5-(trideuteriomethyl)pyridine;4-[4-[4-(1-deuterio-2,2,4,4-tetramethylcyclohexyl)phenyl]-2-methyl-6-(trideuteriomethyl)phenyl]-2-phenyl-5-(trideuteriomethyl)pyridine;4-[4-[4-(1-deuterio-2,2,6,6-tetramethylcyclohexyl)phenyl]-2-methyl-6-(trideuteriomethyl)phenyl]-2-phenyl-5-(trideuteriomethyl)pyridine;tris(5-(1,1-dideuterio-2,2-dimethylpropyl)-4-methyl-2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);tris(iridium)

4-[4-[4-(1-deuterio-2,2,4,4,6,6-hexamethylcyclohexyl)phenyl]-2-methyl-6-(trideuteriomethyl)phenyl]-2-phenyl-5-(trideuteriomethyl)pyridine;4-[4-[4-(1-deuterio-2,2,4,4-tetramethylcyclohexyl)phenyl]-2-methyl-6-(trideuteriomethyl)phenyl]-2-phenyl-5-(trideuteriomethyl)pyridine;4-[4-[4-(1-deuterio-2,2,6,6-tetramethylcyclohexyl)phenyl]-2-methyl-6-(trideuteriomethyl)phenyl]-2-phenyl-5-(trideuteriomethyl)pyridine;tris(5-(1,1-dideuterio-2,2-dimethylpropyl)-4-methyl-2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);tris(iridium) (PubChem CID 158299288) has the molecular formula C182H202Ir3N6-6 and a molecular weight of 3086.53 g/mol. Its IUPAC name is 4-[4-[4-(1-deuterio-2,2,4,4,6,6-hexamethylcyclohexyl)phenyl]-2-methyl-6-(trideuteriomethyl)phenyl]-2-phenyl-5-(trideuteriomethyl)pyridine;4-[4-[4-(1-deuterio-2,2,4,4-tetramethylcyclohexyl)phenyl]-2-methyl-6-(trideuteriomethyl)phenyl]-2-phenyl-5-(trideuteriomethyl)pyridine;4-[4-[4-(1-deuterio-2,2,6,6-tetramethylcyclohexyl)phenyl]-2-methyl-6-(trideuteriomethyl)phenyl]-2-phenyl-5-(trideuteriomethyl)pyridine;tris(5-(1,1-dideuterio-2,2-dimethylpropyl)-4-methyl-2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);tris(iridium).

Molecular Properties

• Compound Name: 4-[4-[4-(1-deuterio-2,2,4,4,6,6-hexamethylcyclohexyl)phenyl]-2-methyl-6-(trideuteriomethyl)phenyl]-2-phenyl-5-(trideuteriomethyl)pyridine;4-[4-[4-(1-deuterio-2,2,4,4-tetramethylcyclohexyl)phenyl]-2-methyl-6-(trideuteriomethyl)phenyl]-2-phenyl-5-(trideuteriomethyl)pyridine;4-[4-[4-(1-deuterio-2,2,6,6-tetramethylcyclohexyl)phenyl]-2-methyl-6-(trideuteriomethyl)phenyl]-2-phenyl-5-(trideuteriomethyl)pyridine;tris(5-(1,1-dideuterio-2,2-dimethylpropyl)-4-methyl-2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);tris(iridium)
• PubChem CID: 158299288
• Molecular Formula: C182H202Ir3N6-6
• Molecular Weight: 3086.53 g/mol
• Exact Mass: 3086.72
• IUPAC Name: 4-[4-[4-(1-deuterio-2,2,4,4,6,6-hexamethylcyclohexyl)phenyl]-2-methyl-6-(trideuteriomethyl)phenyl]-2-phenyl-5-(trideuteriomethyl)pyridine;4-[4-[4-(1-deuterio-2,2,4,4-tetramethylcyclohexyl)phenyl]-2-methyl-6-(trideuteriomethyl)phenyl]-2-phenyl-5-(trideuteriomethyl)pyridine;4-[4-[4-(1-deuterio-2,2,6,6-tetramethylcyclohexyl)phenyl]-2-methyl-6-(trideuteriomethyl)phenyl]-2-phenyl-5-(trideuteriomethyl)pyridine;tris(5-(1,1-dideuterio-2,2-dimethylpropyl)-4-methyl-2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);tris(iridium)
• SMILES: [2H]C([2H])([2H])c1c[c-]c(-c2cc(C)c(C([2H])([2H])C(C)(C)C)cn2)cc1-c1ccccc1.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C)c(C([2H])([2H])C(C)(C)C)cn2)cc1-c1ccccc1.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C)c(C([2H])([2H])C(C)(C)C)cn2)cc1-c1ccccc1.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1-c1c(C)cc(-c2ccc(C3([2H])C(C)(C)CC(C)(C)CC3(C)C)cc2)cc1C([2H])([2H])[2H].[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1-c1c(C)cc(-c2ccc(C3([2H])C(C)(C)CCCC3(C)C)cc2)cc1C([2H])([2H])[2H].[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1-c1c(C)cc(-c2ccc(C3([2H])CCC(C)(C)CC3(C)C)cc2)cc1C([2H])([2H])[2H].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C38H44N.2C36H40N.3C24H26N.3Ir/c1-25-19-31(20-26(2)34(25)32-21-33(39-22-27(32)3)29-13-11-10-12-14-29)28-15-17-30(18-16-28)35-37(6,7)23-36(4,5)24-38(35,8)9;1-24-20-30(27-14-16-29(17-15-27)34-35(4,5)18-11-19-36(34,6)7)21-25(2)33(24)31-22-32(37-23-26(31)3)28-12-9-8-10-13-28;1-24-19-30(27-13-15-28(16-14-27)32-17-18-35(4,5)23-36(32,6)7)20-25(2)34(24)31-21-33(37-22-26(31)3)29-11-9-8-10-12-29;3*1-17-11-12-20(14-22(17)19-9-7-6-8-10-19)23-13-18(2)21(16-25-23)15-24(3,4)5;;;/h10-13,15-22,35H,23-24H2,1-9H3;8-10,12,14-17,20-23,34H,11,18-19H2,1-7H3;8-11,13-16,19-22,32H,17-18,23H2,1-7H3;3*6-11,13-14,16H,15H2,1-5H3;;;/q6*-1;;;/i1D3,3D3,35D;1D3,3D3,34D;1D3,3D3,32D;3*1D3,15D2
• InChIKey: LSEGGLZXPZICIA-FGVAKZJPSA-N
• XLogP: 50.28
• TPSA: 77.34 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 30
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3086.53
LogP ≤ 5	50.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(1-deuterio-2,2,4,4,6,6-hexamethylcyclohexyl)phenyl]-2-methyl-6-(trideuteriomethyl)phenyl]-2-phenyl-5-(trideuteriomethyl)pyridine;4-[4-[4-(1-deuterio-2,2,4,4-tetramethylcyclohexyl)phenyl]-2-methyl-6-(trideuteriomethyl)phenyl]-2-phenyl-5-(trideuteriomethyl)pyridine;4-[4-[4-(1-deuterio-2,2,6,6-tetramethylcyclohexyl)phenyl]-2-methyl-6-(trideuteriomethyl)phenyl]-2-phenyl-5-(trideuteriomethyl)pyridine;tris(5-(1,1-dideuterio-2,2-dimethylpropyl)-4-methyl-2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);tris(iridium)?

The IUPAC name of 4-[4-[4-(1-deuterio-2,2,4,4,6,6-hexamethylcyclohexyl)phenyl]-2-methyl-6-(trideuteriomethyl)phenyl]-2-phenyl-5-(trideuteriomethyl)pyridine;4-[4-[4-(1-deuterio-2,2,4,4-tetramethylcyclohexyl)phenyl]-2-methyl-6-(trideuteriomethyl)phenyl]-2-phenyl-5-(trideuteriomethyl)pyridine;4-[4-[4-(1-deuterio-2,2,6,6-tetramethylcyclohexyl)phenyl]-2-methyl-6-(trideuteriomethyl)phenyl]-2-phenyl-5-(trideuteriomethyl)pyridine;tris(5-(1,1-dideuterio-2,2-dimethylpropyl)-4-methyl-2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);tris(iridium) (CID 158299288) is 4-[4-[4-(1-deuterio-2,2,4,4,6,6-hexamethylcyclohexyl)phenyl]-2-methyl-6-(trideuteriomethyl)phenyl]-2-phenyl-5-(trideuteriomethyl)pyridine;4-[4-[4-(1-deuterio-2,2,4,4-tetramethylcyclohexyl)phenyl]-2-methyl-6-(trideuteriomethyl)phenyl]-2-phenyl-5-(trideuteriomethyl)pyridine;4-[4-[4-(1-deuterio-2,2,6,6-tetramethylcyclohexyl)phenyl]-2-methyl-6-(trideuteriomethyl)phenyl]-2-phenyl-5-(trideuteriomethyl)pyridine;tris(5-(1,1-dideuterio-2,2-dimethylpropyl)-4-methyl-2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);tris(iridium).

What is the SMILES notation for 4-[4-[4-(1-deuterio-2,2,4,4,6,6-hexamethylcyclohexyl)phenyl]-2-methyl-6-(trideuteriomethyl)phenyl]-2-phenyl-5-(trideuteriomethyl)pyridine;4-[4-[4-(1-deuterio-2,2,4,4-tetramethylcyclohexyl)phenyl]-2-methyl-6-(trideuteriomethyl)phenyl]-2-phenyl-5-(trideuteriomethyl)pyridine;4-[4-[4-(1-deuterio-2,2,6,6-tetramethylcyclohexyl)phenyl]-2-methyl-6-(trideuteriomethyl)phenyl]-2-phenyl-5-(trideuteriomethyl)pyridine;tris(5-(1,1-dideuterio-2,2-dimethylpropyl)-4-methyl-2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);tris(iridium)?

The canonical SMILES for 4-[4-[4-(1-deuterio-2,2,4,4,6,6-hexamethylcyclohexyl)phenyl]-2-methyl-6-(trideuteriomethyl)phenyl]-2-phenyl-5-(trideuteriomethyl)pyridine;4-[4-[4-(1-deuterio-2,2,4,4-tetramethylcyclohexyl)phenyl]-2-methyl-6-(trideuteriomethyl)phenyl]-2-phenyl-5-(trideuteriomethyl)pyridine;4-[4-[4-(1-deuterio-2,2,6,6-tetramethylcyclohexyl)phenyl]-2-methyl-6-(trideuteriomethyl)phenyl]-2-phenyl-5-(trideuteriomethyl)pyridine;tris(5-(1,1-dideuterio-2,2-dimethylpropyl)-4-methyl-2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);tris(iridium) is [2H]C([2H])([2H])c1c[c-]c(-c2cc(C)c(C([2H])([2H])C(C)(C)C)cn2)cc1-c1ccccc1.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C)c(C([2H])([2H])C(C)(C)C)cn2)cc1-c1ccccc1.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C)c(C([2H])([2H])C(C)(C)C)cn2)cc1-c1ccccc1.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1-c1c(C)cc(-c2ccc(C3([2H])C(C)(C)CC(C)(C)CC3(C)C)cc2)cc1C([2H])([2H])[2H].[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1-c1c(C)cc(-c2ccc(C3([2H])C(C)(C)CCCC3(C)C)cc2)cc1C([2H])([2H])[2H].[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1-c1c(C)cc(-c2ccc(C3([2H])CCC(C)(C)CC3(C)C)cc2)cc1C([2H])([2H])[2H].[Ir].[Ir].[Ir].

What is the InChIKey of 4-[4-[4-(1-deuterio-2,2,4,4,6,6-hexamethylcyclohexyl)phenyl]-2-methyl-6-(trideuteriomethyl)phenyl]-2-phenyl-5-(trideuteriomethyl)pyridine;4-[4-[4-(1-deuterio-2,2,4,4-tetramethylcyclohexyl)phenyl]-2-methyl-6-(trideuteriomethyl)phenyl]-2-phenyl-5-(trideuteriomethyl)pyridine;4-[4-[4-(1-deuterio-2,2,6,6-tetramethylcyclohexyl)phenyl]-2-methyl-6-(trideuteriomethyl)phenyl]-2-phenyl-5-(trideuteriomethyl)pyridine;tris(5-(1,1-dideuterio-2,2-dimethylpropyl)-4-methyl-2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);tris(iridium)?

The InChIKey is LSEGGLZXPZICIA-FGVAKZJPSA-N. The full InChI is InChI=1S/C38H44N.2C36H40N.3C24H26N.3Ir/c1-25-19-31(20-26(2)34(25)32-21-33(39-22-27(32)3)29-13-11-10-12-14-29)28-15-17-30(18-16-28)35-37(6,7)23-36(4,5)24-38(35,8)9;1-24-20-30(27-14-16-29(17-15-27)34-35(4,5)18-11-19-36(34,6)7)21-25(2)33(24)31-22-32(37-23-26(31)3)28-12-9-8-10-13-28;1-24-19-30(27-13-15-28(16-14-27)32-17-18-35(4,5)23-36(32,6)7)20-25(2)34(24)31-21-33(37-22-26(31)3)29-11-9-8-10-12-29;3*1-17-11-12-20(14-22(17)19-9-7-6-8-10-19)23-13-18(2)21(16-25-23)15-24(3,4)5;;;/h10-13,15-22,35H,23-24H2,1-9H3;8-10,12,14-17,20-23,34H,11,18-19H2,1-7H3;8-11,13-16,19-22,32H,17-18,23H2,1-7H3;3*6-11,13-14,16H,15H2,1-5H3;;;/q6*-1;;;/i1D3,3D3,35D;1D3,3D3,34D;1D3,3D3,32D;3*1D3,15D2;;;.

What are the key properties of 4-[4-[4-(1-deuterio-2,2,4,4,6,6-hexamethylcyclohexyl)phenyl]-2-methyl-6-(trideuteriomethyl)phenyl]-2-phenyl-5-(trideuteriomethyl)pyridine;4-[4-[4-(1-deuterio-2,2,4,4-tetramethylcyclohexyl)phenyl]-2-methyl-6-(trideuteriomethyl)phenyl]-2-phenyl-5-(trideuteriomethyl)pyridine;4-[4-[4-(1-deuterio-2,2,6,6-tetramethylcyclohexyl)phenyl]-2-methyl-6-(trideuteriomethyl)phenyl]-2-phenyl-5-(trideuteriomethyl)pyridine;tris(5-(1,1-dideuterio-2,2-dimethylpropyl)-4-methyl-2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);tris(iridium)?

4-[4-[4-(1-deuterio-2,2,4,4,6,6-hexamethylcyclohexyl)phenyl]-2-methyl-6-(trideuteriomethyl)phenyl]-2-phenyl-5-(trideuteriomethyl)pyridine;4-[4-[4-(1-deuterio-2,2,4,4-tetramethylcyclohexyl)phenyl]-2-methyl-6-(trideuteriomethyl)phenyl]-2-phenyl-5-(trideuteriomethyl)pyridine;4-[4-[4-(1-deuterio-2,2,6,6-tetramethylcyclohexyl)phenyl]-2-methyl-6-(trideuteriomethyl)phenyl]-2-phenyl-5-(trideuteriomethyl)pyridine;tris(5-(1,1-dideuterio-2,2-dimethylpropyl)-4-methyl-2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);tris(iridium) has a molecular weight of 3086.53 g/mol, XLogP of 50.28, 30 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[4-(1-deuterio-2,2,4,4,6,6-hexamethylcyclohexyl)phenyl]-2-methyl-6-(trideuteriomethyl)phenyl]-2-phenyl-5-(trideuteriomethyl)pyridine;4-[4-[4-(1-deuterio-2,2,4,4-tetramethylcyclohexyl)phenyl]-2-methyl-6-(trideuteriomethyl)phenyl]-2-phenyl-5-(trideuteriomethyl)pyridine;4-[4-[4-(1-deuterio-2,2,6,6-tetramethylcyclohexyl)phenyl]-2-methyl-6-(trideuteriomethyl)phenyl]-2-phenyl-5-(trideuteriomethyl)pyridine;tris(5-(1,1-dideuterio-2,2-dimethylpropyl)-4-methyl-2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);tris(iridium) is sourced from PubChem (CID 158299288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).