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

C104H70F18Ir4N20O8-4 — CID 159929469

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

tetrakis(iridium);4-methyl-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;4-methyl-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-5-(trifluoromethyl)pyrimidine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-5-(trifluoromethyl)pyrimidine;tetrakis(2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenol) (PubChem CID 159929469) has the molecular formula C104H70F18Ir4N20O8-4 and a molecular weight of 2838.67 g/mol. Its IUPAC name is tetrakis(iridium);4-methyl-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;4-methyl-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-5-(trifluoromethyl)pyrimidine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-5-(trifluoromethyl)pyrimidine;tetrakis(2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenol).

Molecular Properties

• Compound Name: tetrakis(iridium);4-methyl-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;4-methyl-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-5-(trifluoromethyl)pyrimidine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-5-(trifluoromethyl)pyrimidine;tetrakis(2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenol)
• PubChem CID: 159929469
• Molecular Formula: C104H70F18Ir4N20O8-4
• Molecular Weight: 2838.67 g/mol
• Exact Mass: 2840.39
• IUPAC Name: tetrakis(iridium);4-methyl-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;4-methyl-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-5-(trifluoromethyl)pyrimidine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-5-(trifluoromethyl)pyrimidine;tetrakis(2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenol)
• SMILES: Cc1cc(-c2ncc(C(F)(F)F)cn2)[c-]c(C(F)(F)F)n1.Cc1cc(-c2nccc(C)n2)[c-]c(C(F)(F)F)n1.Cc1ccnc(-c2[c-]cc(C(F)(F)F)nc2C)n1.Cc1nc(C(F)(F)F)c[c-]c1-c1ncc(C(F)(F)F)cn1.Oc1ccccc1-c1nnc(-c2ccccc2)o1.Oc1ccccc1-c1nnc(-c2ccccc2)o1.Oc1ccccc1-c1nnc(-c2ccccc2)o1.Oc1ccccc1-c1nnc(-c2ccccc2)o1.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/4C14H10N2O2.2C12H6F6N3.2C12H9F3N3.4Ir/c4*17-12-9-5-4-8-11(12)14-16-15-13(18-14)10-6-2-1-3-7-10;1-6-2-7(3-9(21-6)12(16,17)18)10-19-4-8(5-20-10)11(13,14)15;1-6-8(2-3-9(21-6)12(16,17)18)10-19-4-7(5-20-10)11(13,14)15;1-7-3-4-16-11(18-7)9-5-8(2)17-10(6-9)12(13,14)15;1-7-5-6-16-11(17-7)9-3-4-10(12(13,14)15)18-8(9)2;;;;/h4*1-9,17H;2,4-5H,1H3;3-5H,1H3;3-5H,1-2H3;4-6H,1-2H3;;;;/q;;;;4*-1
• InChIKey: BOJBKBNRFATDDV-UHFFFAOYSA-N
• XLogP: 25.75
• TPSA: 391.28 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Rotatable Bonds: 12
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2838.67
LogP ≤ 5	25.75
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of tetrakis(iridium);4-methyl-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;4-methyl-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-5-(trifluoromethyl)pyrimidine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-5-(trifluoromethyl)pyrimidine;tetrakis(2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenol) (CID 159929469) is tetrakis(iridium);4-methyl-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;4-methyl-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-5-(trifluoromethyl)pyrimidine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-5-(trifluoromethyl)pyrimidine;tetrakis(2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenol).

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

The canonical SMILES for tetrakis(iridium);4-methyl-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;4-methyl-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-5-(trifluoromethyl)pyrimidine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-5-(trifluoromethyl)pyrimidine;tetrakis(2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenol) is Cc1cc(-c2ncc(C(F)(F)F)cn2)[c-]c(C(F)(F)F)n1.Cc1cc(-c2nccc(C)n2)[c-]c(C(F)(F)F)n1.Cc1ccnc(-c2[c-]cc(C(F)(F)F)nc2C)n1.Cc1nc(C(F)(F)F)c[c-]c1-c1ncc(C(F)(F)F)cn1.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);4-methyl-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;4-methyl-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-5-(trifluoromethyl)pyrimidine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-5-(trifluoromethyl)pyrimidine;tetrakis(2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenol)?

The InChIKey is BOJBKBNRFATDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/4C14H10N2O2.2C12H6F6N3.2C12H9F3N3.4Ir/c4*17-12-9-5-4-8-11(12)14-16-15-13(18-14)10-6-2-1-3-7-10;1-6-2-7(3-9(21-6)12(16,17)18)10-19-4-8(5-20-10)11(13,14)15;1-6-8(2-3-9(21-6)12(16,17)18)10-19-4-7(5-20-10)11(13,14)15;1-7-3-4-16-11(18-7)9-5-8(2)17-10(6-9)12(13,14)15;1-7-5-6-16-11(17-7)9-3-4-10(12(13,14)15)18-8(9)2;;;;/h4*1-9,17H;2,4-5H,1H3;3-5H,1H3;3-5H,1-2H3;4-6H,1-2H3;;;;/q;;;;4*-1;;;;.

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

tetrakis(iridium);4-methyl-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;4-methyl-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-5-(trifluoromethyl)pyrimidine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-5-(trifluoromethyl)pyrimidine;tetrakis(2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenol) has a molecular weight of 2838.67 g/mol, XLogP of 25.75, 12 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis(iridium);4-methyl-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;4-methyl-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-5-(trifluoromethyl)pyrimidine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-5-(trifluoromethyl)pyrimidine;tetrakis(2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenol) is sourced from PubChem (CID 159929469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).