tetrakis(iridium);2-methyl-3-(5-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-(5-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide;6-methyl-4-(6-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;tetrakis(2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol)

C102H73F12Ir4N21O8-4 — CID 157447702

About tetrakis(iridium);2-methyl-3-(5-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-(5-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide;6-methyl-4-(6-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;tetrakis(2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol)

tetrakis(iridium);2-methyl-3-(5-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-(5-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide;6-methyl-4-(6-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;tetrakis(2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol) (PubChem CID 157447702) has the molecular formula C102H73F12Ir4N21O8-4 and a molecular weight of 2717.69 g/mol. Its IUPAC name is tetrakis(iridium);2-methyl-3-(5-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-(5-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide;6-methyl-4-(6-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;tetrakis(2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol).

Molecular Properties

• Compound Name: tetrakis(iridium);2-methyl-3-(5-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-(5-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide;6-methyl-4-(6-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;tetrakis(2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol)
• PubChem CID: 157447702
• Molecular Formula: C102H73F12Ir4N21O8-4
• Molecular Weight: 2717.69 g/mol
• Exact Mass: 2719.43
• IUPAC Name: tetrakis(iridium);2-methyl-3-(5-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-(5-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide;6-methyl-4-(6-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;tetrakis(2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol)
• SMILES: Cc1cc(-c2cccc(C)n2)[c-]c(C(F)(F)F)n1.Cc1ccc(-c2[c-]c(C(F)(F)F)nc(C)c2)nc1.Cc1ccc(-c2[c-]cc(C(F)(F)F)nc2C)nc1.Cc1nc(C(F)(F)F)c[c-]c1-c1ncccn1.Oc1ccccc1-c1nnc(-c2cccnc2)o1.Oc1ccccc1-c1nnc(-c2cccnc2)o1.Oc1ccccc1-c1nnc(-c2cccnc2)o1.Oc1ccccc1-c1nnc(-c2cccnc2)o1.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/3C13H10F3N2.4C13H9N3O2.C11H7F3N3.4Ir/c1-8-3-5-11(17-7-8)10-4-6-12(13(14,15)16)18-9(10)2;1-8-3-4-11(17-7-8)10-5-9(2)18-12(6-10)13(14,15)16;1-8-4-3-5-11(17-8)10-6-9(2)18-12(7-10)13(14,15)16;4*17-11-6-2-1-5-10(11)13-16-15-12(18-13)9-4-3-7-14-8-9;1-7-8(10-15-5-2-6-16-10)3-4-9(17-7)11(12,13)14;;;;/h3,5-7H,1-2H3;3-5,7H,1-2H3;3-6H,1-2H3;4*1-8,17H;2,4-6H,1H3;;;;/q3*-1;;;;;-1
• InChIKey: JIXYTQUTGCASFR-UHFFFAOYSA-N
• XLogP: 23.41
• TPSA: 404.17 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 29
• Rotatable Bonds: 12
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2717.69
LogP ≤ 5	23.41
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tetrakis(iridium);2-methyl-3-(5-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-(5-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide;6-methyl-4-(6-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;tetrakis(2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol)?

The IUPAC name of tetrakis(iridium);2-methyl-3-(5-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-(5-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide;6-methyl-4-(6-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;tetrakis(2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol) (CID 157447702) is tetrakis(iridium);2-methyl-3-(5-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-(5-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide;6-methyl-4-(6-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;tetrakis(2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol).

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

The canonical SMILES for tetrakis(iridium);2-methyl-3-(5-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-(5-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide;6-methyl-4-(6-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;tetrakis(2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol) is Cc1cc(-c2cccc(C)n2)[c-]c(C(F)(F)F)n1.Cc1ccc(-c2[c-]c(C(F)(F)F)nc(C)c2)nc1.Cc1ccc(-c2[c-]cc(C(F)(F)F)nc2C)nc1.Cc1nc(C(F)(F)F)c[c-]c1-c1ncccn1.Oc1ccccc1-c1nnc(-c2cccnc2)o1.Oc1ccccc1-c1nnc(-c2cccnc2)o1.Oc1ccccc1-c1nnc(-c2cccnc2)o1.Oc1ccccc1-c1nnc(-c2cccnc2)o1.[Ir].[Ir].[Ir].[Ir].

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

The InChIKey is JIXYTQUTGCASFR-UHFFFAOYSA-N. The full InChI is InChI=1S/3C13H10F3N2.4C13H9N3O2.C11H7F3N3.4Ir/c1-8-3-5-11(17-7-8)10-4-6-12(13(14,15)16)18-9(10)2;1-8-3-4-11(17-7-8)10-5-9(2)18-12(6-10)13(14,15)16;1-8-4-3-5-11(17-8)10-6-9(2)18-12(7-10)13(14,15)16;4*17-11-6-2-1-5-10(11)13-16-15-12(18-13)9-4-3-7-14-8-9;1-7-8(10-15-5-2-6-16-10)3-4-9(17-7)11(12,13)14;;;;/h3,5-7H,1-2H3;3-5,7H,1-2H3;3-6H,1-2H3;4*1-8,17H;2,4-6H,1H3;;;;/q3*-1;;;;;-1;;;;.

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

tetrakis(iridium);2-methyl-3-(5-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-(5-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide;6-methyl-4-(6-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;tetrakis(2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol) has a molecular weight of 2717.69 g/mol, XLogP of 23.41, 12 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis(iridium);2-methyl-3-(5-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-(5-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide;6-methyl-4-(6-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;tetrakis(2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol) is sourced from PubChem (CID 157447702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).