tris(iridium);2-methyl-3-(4-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;2-methyl-3-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-(4-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide;tris(2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol)

C78H57F9Ir3N15O6-3 — CID 158949967

About tris(iridium);2-methyl-3-(4-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;2-methyl-3-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-(4-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide;tris(2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol)

tris(iridium);2-methyl-3-(4-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;2-methyl-3-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-(4-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide;tris(2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol) (PubChem CID 158949967) has the molecular formula C78H57F9Ir3N15O6-3 and a molecular weight of 2048.05 g/mol. Its IUPAC name is tris(iridium);2-methyl-3-(4-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;2-methyl-3-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-(4-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide;tris(2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol).

Molecular Properties

• Compound Name: tris(iridium);2-methyl-3-(4-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;2-methyl-3-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-(4-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide;tris(2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol)
• PubChem CID: 158949967
• Molecular Formula: C78H57F9Ir3N15O6-3
• Molecular Weight: 2048.05 g/mol
• Exact Mass: 2049.34
• IUPAC Name: tris(iridium);2-methyl-3-(4-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;2-methyl-3-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-(4-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide;tris(2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol)
• SMILES: Cc1cccc(-c2[c-]cc(C(F)(F)F)nc2C)n1.Cc1ccnc(-c2[c-]c(C(F)(F)F)nc(C)c2)c1.Cc1ccnc(-c2[c-]cc(C(F)(F)F)nc2C)c1.Oc1ccccc1-c1nnc(-c2cccnc2)o1.Oc1ccccc1-c1nnc(-c2cccnc2)o1.Oc1ccccc1-c1nnc(-c2cccnc2)o1.[Ir].[Ir].[Ir]
• InChI: InChI=1S/3C13H10F3N2.3C13H9N3O2.3Ir/c1-8-3-4-17-11(5-8)10-6-9(2)18-12(7-10)13(14,15)16;1-8-5-6-17-11(7-8)10-3-4-12(13(14,15)16)18-9(10)2;1-8-4-3-5-11(17-8)10-6-7-12(13(14,15)16)18-9(10)2;3*17-11-6-2-1-5-10(11)13-16-15-12(18-13)9-4-3-7-14-8-9;;;/h3-6H,1-2H3;4-7H,1-2H3;3-5,7H,1-2H3;3*1-8,17H;;;/q3*-1
• InChIKey: STAMGEBOLVJYRG-UHFFFAOYSA-N
• XLogP: 18.24
• TPSA: 293.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 21
• Rotatable Bonds: 9
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2048.05
LogP ≤ 5	18.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	21

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-3-(4-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;2-methyl-3-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-(4-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide;tris(2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol)?

The IUPAC name of tris(iridium);2-methyl-3-(4-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;2-methyl-3-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-(4-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide;tris(2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol) (CID 158949967) is tris(iridium);2-methyl-3-(4-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;2-methyl-3-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-(4-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide;tris(2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol).

What is the SMILES notation for tris(iridium);2-methyl-3-(4-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;2-methyl-3-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-(4-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide;tris(2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol)?

The canonical SMILES for tris(iridium);2-methyl-3-(4-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;2-methyl-3-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-(4-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide;tris(2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol) is Cc1cccc(-c2[c-]cc(C(F)(F)F)nc2C)n1.Cc1ccnc(-c2[c-]c(C(F)(F)F)nc(C)c2)c1.Cc1ccnc(-c2[c-]cc(C(F)(F)F)nc2C)c1.Oc1ccccc1-c1nnc(-c2cccnc2)o1.Oc1ccccc1-c1nnc(-c2cccnc2)o1.Oc1ccccc1-c1nnc(-c2cccnc2)o1.[Ir].[Ir].[Ir].

What is the InChIKey of tris(iridium);2-methyl-3-(4-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;2-methyl-3-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-(4-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide;tris(2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol)?

The InChIKey is STAMGEBOLVJYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/3C13H10F3N2.3C13H9N3O2.3Ir/c1-8-3-4-17-11(5-8)10-6-9(2)18-12(7-10)13(14,15)16;1-8-5-6-17-11(7-8)10-3-4-12(13(14,15)16)18-9(10)2;1-8-4-3-5-11(17-8)10-6-7-12(13(14,15)16)18-9(10)2;3*17-11-6-2-1-5-10(11)13-16-15-12(18-13)9-4-3-7-14-8-9;;;/h3-6H,1-2H3;4-7H,1-2H3;3-5,7H,1-2H3;3*1-8,17H;;;/q3*-1;;;;;;.

What are the key properties of tris(iridium);2-methyl-3-(4-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;2-methyl-3-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-(4-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide;tris(2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol)?

tris(iridium);2-methyl-3-(4-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;2-methyl-3-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-(4-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide;tris(2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol) has a molecular weight of 2048.05 g/mol, XLogP of 18.24, 9 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for tris(iridium);2-methyl-3-(4-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;2-methyl-3-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-(4-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide;tris(2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol) is sourced from PubChem (CID 158949967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).