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

C104H74F12Ir4N18O8-4 — CID 158781301

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;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;tetrakis(2-(5-phenyl-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;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;tetrakis(2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenol) (PubChem CID 158781301) has the molecular formula C104H74F12Ir4N18O8-4 and a molecular weight of 2700.70 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;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;tetrakis(2-(5-phenyl-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;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;tetrakis(2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenol)
• PubChem CID: 158781301
• Molecular Formula: C104H74F12Ir4N18O8-4
• Molecular Weight: 2700.70 g/mol
• Exact Mass: 2702.43
• 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;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;tetrakis(2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenol)
• SMILES: Cc1cc(-c2ncccn2)[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(-c2ccccc2)o1.Oc1ccccc1-c1nnc(-c2ccccc2)o1.Oc1ccccc1-c1nnc(-c2ccccc2)o1.Oc1ccccc1-c1nnc(-c2ccccc2)o1.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/4C14H10N2O2.2C13H10F3N2.2C11H7F3N3.4Ir/c4*17-12-9-5-4-8-11(12)14-16-15-13(18-14)10-6-2-1-3-7-10;1-8-3-5-11(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;1-7-8(10-15-5-2-6-16-10)3-4-9(17-7)11(12,13)14;1-7-5-8(10-15-3-2-4-16-10)6-9(17-7)11(12,13)14;;;;/h4*1-9,17H;3,5-7H,1-2H3;3-5,7H,1-2H3;2,4-6H,1H3;2-5H,1H3;;;;/q;;;;4*-1
• InChIKey: KIZYYHSJYCKKRX-UHFFFAOYSA-N
• XLogP: 24.92
• TPSA: 365.50 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 12
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2700.70
LogP ≤ 5	24.92
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

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;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;tetrakis(2-(5-phenyl-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;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;tetrakis(2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenol) (CID 158781301) 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;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;tetrakis(2-(5-phenyl-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;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;tetrakis(2-(5-phenyl-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;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;tetrakis(2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenol) is Cc1cc(-c2ncccn2)[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(-c2ccccc2)o1.Oc1ccccc1-c1nnc(-c2ccccc2)o1.Oc1ccccc1-c1nnc(-c2ccccc2)o1.Oc1ccccc1-c1nnc(-c2ccccc2)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;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;tetrakis(2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenol)?

The InChIKey is KIZYYHSJYCKKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/4C14H10N2O2.2C13H10F3N2.2C11H7F3N3.4Ir/c4*17-12-9-5-4-8-11(12)14-16-15-13(18-14)10-6-2-1-3-7-10;1-8-3-5-11(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;1-7-8(10-15-5-2-6-16-10)3-4-9(17-7)11(12,13)14;1-7-5-8(10-15-3-2-4-16-10)6-9(17-7)11(12,13)14;;;;/h4*1-9,17H;3,5-7H,1-2H3;3-5,7H,1-2H3;2,4-6H,1H3;2-5H,1H3;;;;/q;;;;4*-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;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;tetrakis(2-(5-phenyl-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;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;tetrakis(2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenol) has a molecular weight of 2700.70 g/mol, XLogP of 24.92, 12 rotatable bonds, 4 hydrogen bond donors, and 26 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;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;tetrakis(2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenol) is sourced from PubChem (CID 158781301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).