tris(iridium);2-methyl-4-(2-phenyl-4-pyridinyl)pyrimidine;2-methyl-5-(2-phenyl-4-pyridinyl)pyrimidine;2-methyl-4-(2-phenyl-4-pyridinyl)-6-(trideuteriomethyl)-1,3,5-triazine;tris(2-phenyl-5-(trideuteriomethyl)pyridine)

C84H67Ir3N13-6 — CID 158130703

About tris(iridium);2-methyl-4-(2-phenyl-4-pyridinyl)pyrimidine;2-methyl-5-(2-phenyl-4-pyridinyl)pyrimidine;2-methyl-4-(2-phenyl-4-pyridinyl)-6-(trideuteriomethyl)-1,3,5-triazine;tris(2-phenyl-5-(trideuteriomethyl)pyridine)

tris(iridium);2-methyl-4-(2-phenyl-4-pyridinyl)pyrimidine;2-methyl-5-(2-phenyl-4-pyridinyl)pyrimidine;2-methyl-4-(2-phenyl-4-pyridinyl)-6-(trideuteriomethyl)-1,3,5-triazine;tris(2-phenyl-5-(trideuteriomethyl)pyridine) (PubChem CID 158130703) has the molecular formula C84H67Ir3N13-6 and a molecular weight of 1847.28 g/mol. Its IUPAC name is tris(iridium);2-methyl-4-(2-phenyl-4-pyridinyl)pyrimidine;2-methyl-5-(2-phenyl-4-pyridinyl)pyrimidine;2-methyl-4-(2-phenyl-4-pyridinyl)-6-(trideuteriomethyl)-1,3,5-triazine;tris(2-phenyl-5-(trideuteriomethyl)pyridine).

Molecular Properties

• Compound Name: tris(iridium);2-methyl-4-(2-phenyl-4-pyridinyl)pyrimidine;2-methyl-5-(2-phenyl-4-pyridinyl)pyrimidine;2-methyl-4-(2-phenyl-4-pyridinyl)-6-(trideuteriomethyl)-1,3,5-triazine;tris(2-phenyl-5-(trideuteriomethyl)pyridine)
• PubChem CID: 158130703
• Molecular Formula: C84H67Ir3N13-6
• Molecular Weight: 1847.28 g/mol
• Exact Mass: 1848.53
• IUPAC Name: tris(iridium);2-methyl-4-(2-phenyl-4-pyridinyl)pyrimidine;2-methyl-5-(2-phenyl-4-pyridinyl)pyrimidine;2-methyl-4-(2-phenyl-4-pyridinyl)-6-(trideuteriomethyl)-1,3,5-triazine;tris(2-phenyl-5-(trideuteriomethyl)pyridine)
• SMILES: Cc1ncc(-c2ccnc(-c3[c-]cccc3)c2)cn1.Cc1nccc(-c2ccnc(-c3[c-]cccc3)c2)n1.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1nc(C)nc(-c2ccnc(-c3[c-]cccc3)c2)n1.[Ir].[Ir].[Ir]
• InChI: InChI=1S/C16H13N4.2C16H12N3.3C12H10N.3Ir/c1-11-18-12(2)20-16(19-11)14-8-9-17-15(10-14)13-6-4-3-5-7-13;1-12-17-10-8-15(19-12)14-7-9-18-16(11-14)13-5-3-2-4-6-13;1-12-18-10-15(11-19-12)14-7-8-17-16(9-14)13-5-3-2-4-6-13;3*1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;;;/h3-6,8-10H,1-2H3;2*2-5,7-11H,1H3;3*2-5,7-9H,1H3;;;/q6*-1;;;/i1D3;;;3*1D3
• InChIKey: RALUHBHWNYOABY-NOGYSKIZSA-N
• XLogP: 18.21
• TPSA: 167.57 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 13
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1847.28
LogP ≤ 5	18.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tris(iridium);2-methyl-4-(2-phenyl-4-pyridinyl)pyrimidine;2-methyl-5-(2-phenyl-4-pyridinyl)pyrimidine;2-methyl-4-(2-phenyl-4-pyridinyl)-6-(trideuteriomethyl)-1,3,5-triazine;tris(2-phenyl-5-(trideuteriomethyl)pyridine)?

The IUPAC name of tris(iridium);2-methyl-4-(2-phenyl-4-pyridinyl)pyrimidine;2-methyl-5-(2-phenyl-4-pyridinyl)pyrimidine;2-methyl-4-(2-phenyl-4-pyridinyl)-6-(trideuteriomethyl)-1,3,5-triazine;tris(2-phenyl-5-(trideuteriomethyl)pyridine) (CID 158130703) is tris(iridium);2-methyl-4-(2-phenyl-4-pyridinyl)pyrimidine;2-methyl-5-(2-phenyl-4-pyridinyl)pyrimidine;2-methyl-4-(2-phenyl-4-pyridinyl)-6-(trideuteriomethyl)-1,3,5-triazine;tris(2-phenyl-5-(trideuteriomethyl)pyridine).

What is the SMILES notation for tris(iridium);2-methyl-4-(2-phenyl-4-pyridinyl)pyrimidine;2-methyl-5-(2-phenyl-4-pyridinyl)pyrimidine;2-methyl-4-(2-phenyl-4-pyridinyl)-6-(trideuteriomethyl)-1,3,5-triazine;tris(2-phenyl-5-(trideuteriomethyl)pyridine)?

The canonical SMILES for tris(iridium);2-methyl-4-(2-phenyl-4-pyridinyl)pyrimidine;2-methyl-5-(2-phenyl-4-pyridinyl)pyrimidine;2-methyl-4-(2-phenyl-4-pyridinyl)-6-(trideuteriomethyl)-1,3,5-triazine;tris(2-phenyl-5-(trideuteriomethyl)pyridine) is Cc1ncc(-c2ccnc(-c3[c-]cccc3)c2)cn1.Cc1nccc(-c2ccnc(-c3[c-]cccc3)c2)n1.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1nc(C)nc(-c2ccnc(-c3[c-]cccc3)c2)n1.[Ir].[Ir].[Ir].

What is the InChIKey of tris(iridium);2-methyl-4-(2-phenyl-4-pyridinyl)pyrimidine;2-methyl-5-(2-phenyl-4-pyridinyl)pyrimidine;2-methyl-4-(2-phenyl-4-pyridinyl)-6-(trideuteriomethyl)-1,3,5-triazine;tris(2-phenyl-5-(trideuteriomethyl)pyridine)?

The InChIKey is RALUHBHWNYOABY-NOGYSKIZSA-N. The full InChI is InChI=1S/C16H13N4.2C16H12N3.3C12H10N.3Ir/c1-11-18-12(2)20-16(19-11)14-8-9-17-15(10-14)13-6-4-3-5-7-13;1-12-17-10-8-15(19-12)14-7-9-18-16(11-14)13-5-3-2-4-6-13;1-12-18-10-15(11-19-12)14-7-8-17-16(9-14)13-5-3-2-4-6-13;3*1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;;;/h3-6,8-10H,1-2H3;2*2-5,7-11H,1H3;3*2-5,7-9H,1H3;;;/q6*-1;;;/i1D3;;;3*1D3;;;.

What are the key properties of tris(iridium);2-methyl-4-(2-phenyl-4-pyridinyl)pyrimidine;2-methyl-5-(2-phenyl-4-pyridinyl)pyrimidine;2-methyl-4-(2-phenyl-4-pyridinyl)-6-(trideuteriomethyl)-1,3,5-triazine;tris(2-phenyl-5-(trideuteriomethyl)pyridine)?

tris(iridium);2-methyl-4-(2-phenyl-4-pyridinyl)pyrimidine;2-methyl-5-(2-phenyl-4-pyridinyl)pyrimidine;2-methyl-4-(2-phenyl-4-pyridinyl)-6-(trideuteriomethyl)-1,3,5-triazine;tris(2-phenyl-5-(trideuteriomethyl)pyridine) has a molecular weight of 1847.28 g/mol, XLogP of 18.21, 13 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for tris(iridium);2-methyl-4-(2-phenyl-4-pyridinyl)pyrimidine;2-methyl-5-(2-phenyl-4-pyridinyl)pyrimidine;2-methyl-4-(2-phenyl-4-pyridinyl)-6-(trideuteriomethyl)-1,3,5-triazine;tris(2-phenyl-5-(trideuteriomethyl)pyridine) is sourced from PubChem (CID 158130703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).