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

C100H63F21Ir4N24O8-4 — CID 159637841

IUPACtetrakis(iridium);2-methyl-6-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-5-(trifluoromethyl)pyrazine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-5-(trifluoromethyl)pyrazine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-6-(trifluoromethyl)pyrazine;tetrakis(2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol)
SMILESCc1cc(-c2cnc(C(F)(F)F)cn2)[c-]c(C(F)(F)F)n1.Cc1cc(-c2cncc(C(F)(F)F)n2)[c-]c(C(F)(F)F)n1.Cc1cncc(-c2[c-]cc(C(F)(F)F)nc2C)n1.Cc1nc(C(F)(F)F)c[c-]c1-c1cnc(C(F)(F)F)cn1.Oc1ccccc1-c1nnc(-c2cccnc2)o1.Oc1ccccc1-c1nnc(-c2cccnc2)o1.Oc1ccccc1-c1nnc(-c2cccnc2)o1.Oc1ccccc1-c1nnc(-c2cccnc2)o1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/4C13H9N3O2.3C12H6F6N3.C12H9F3N3.4Ir/c4*17-11-6-2-1-5-10(11)13-16-15-12(18-13)9-4-3-7-14-8-9;1-6-2-7(3-9(21-6)11(13,14)15)8-4-20-10(5-19-8)12(16,17)18;1-6-2-7(3-9(20-6)11(13,14)15)8-4-19-5-10(21-8)12(16,17)18;1-6-7(2-3-9(21-6)11(13,14)15)8-4-20-10(5-19-8)12(16,17)18;1-7-5-16-6-10(17-7)9-3-4-11(12(13,14)15)18-8(9)2;;;;/h4*1-8,17H;2*2,4-5H,1H3;3-5H,1H3;4-6H,1-2H3;;;;/q;;;;4*-1;;;;
InChIKeyGRQFXUOYSOKNNA-UHFFFAOYSA-N
MW2896.59 g/mol
LogP24.04
Rot. Bonds12

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

tetrakis(iridium);2-methyl-6-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-5-(trifluoromethyl)pyrazine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-5-(trifluoromethyl)pyrazine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-6-(trifluoromethyl)pyrazine;tetrakis(2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol) (PubChem CID 159637841) has the molecular formula C100H63F21Ir4N24O8-4 and a molecular weight of 2896.59 g/mol. Its IUPAC name is tetrakis(iridium);2-methyl-6-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-5-(trifluoromethyl)pyrazine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-5-(trifluoromethyl)pyrazine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-6-(trifluoromethyl)pyrazine;tetrakis(2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol).

Molecular Properties

Compound Nametetrakis(iridium);2-methyl-6-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-5-(trifluoromethyl)pyrazine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-5-(trifluoromethyl)pyrazine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-6-(trifluoromethyl)pyrazine;tetrakis(2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol)
PubChem CID159637841
Molecular FormulaC100H63F21Ir4N24O8-4
Molecular Weight2896.59 g/mol
Exact Mass2898.35
IUPAC Nametetrakis(iridium);2-methyl-6-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-5-(trifluoromethyl)pyrazine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-5-(trifluoromethyl)pyrazine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-6-(trifluoromethyl)pyrazine;tetrakis(2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol)
SMILESCc1cc(-c2cnc(C(F)(F)F)cn2)[c-]c(C(F)(F)F)n1.Cc1cc(-c2cncc(C(F)(F)F)n2)[c-]c(C(F)(F)F)n1.Cc1cncc(-c2[c-]cc(C(F)(F)F)nc2C)n1.Cc1nc(C(F)(F)F)c[c-]c1-c1cnc(C(F)(F)F)cn1.Oc1ccccc1-c1nnc(-c2cccnc2)o1.Oc1ccccc1-c1nnc(-c2cccnc2)o1.Oc1ccccc1-c1nnc(-c2cccnc2)o1.Oc1ccccc1-c1nnc(-c2cccnc2)o1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/4C13H9N3O2.3C12H6F6N3.C12H9F3N3.4Ir/c4*17-11-6-2-1-5-10(11)13-16-15-12(18-13)9-4-3-7-14-8-9;1-6-2-7(3-9(21-6)11(13,14)15)8-4-20-10(5-19-8)12(16,17)18;1-6-2-7(3-9(20-6)11(13,14)15)8-4-19-5-10(21-8)12(16,17)18;1-6-7(2-3-9(21-6)11(13,14)15)8-4-20-10(5-19-8)12(16,17)18;1-7-5-16-6-10(17-7)9-3-4-11(12(13,14)15)18-8(9)2;;;;/h4*1-8,17H;2*2,4-5H,1H3;3-5H,1H3;4-6H,1-2H3;;;;/q;;;;4*-1;;;;
InChIKeyGRQFXUOYSOKNNA-UHFFFAOYSA-N
XLogP24.04
TPSA442.84 Ų
H-Bond Donors4
H-Bond Acceptors32
Rotatable Bonds12
Heavy Atoms157
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002896.59
LogP ≤ 524.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

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

Analyze tetrakis(iridium);2-methyl-6-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-5-(trifluoromethyl)pyrazine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-5-(trifluoromethyl)pyrazine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-6-(trifluoromethyl)pyrazine;tetrakis(2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol) with MolForge

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Frequently Asked Questions

What is the IUPAC name of tetrakis(iridium);2-methyl-6-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-5-(trifluoromethyl)pyrazine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-5-(trifluoromethyl)pyrazine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-6-(trifluoromethyl)pyrazine;tetrakis(2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol)?
The IUPAC name of tetrakis(iridium);2-methyl-6-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-5-(trifluoromethyl)pyrazine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-5-(trifluoromethyl)pyrazine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-6-(trifluoromethyl)pyrazine;tetrakis(2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol) (CID 159637841) is tetrakis(iridium);2-methyl-6-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-5-(trifluoromethyl)pyrazine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-5-(trifluoromethyl)pyrazine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-6-(trifluoromethyl)pyrazine;tetrakis(2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol).
What is the SMILES notation for tetrakis(iridium);2-methyl-6-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-5-(trifluoromethyl)pyrazine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-5-(trifluoromethyl)pyrazine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-6-(trifluoromethyl)pyrazine;tetrakis(2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol)?
The canonical SMILES for tetrakis(iridium);2-methyl-6-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-5-(trifluoromethyl)pyrazine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-5-(trifluoromethyl)pyrazine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-6-(trifluoromethyl)pyrazine;tetrakis(2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol) is Cc1cc(-c2cnc(C(F)(F)F)cn2)[c-]c(C(F)(F)F)n1.Cc1cc(-c2cncc(C(F)(F)F)n2)[c-]c(C(F)(F)F)n1.Cc1cncc(-c2[c-]cc(C(F)(F)F)nc2C)n1.Cc1nc(C(F)(F)F)c[c-]c1-c1cnc(C(F)(F)F)cn1.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-6-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-5-(trifluoromethyl)pyrazine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-5-(trifluoromethyl)pyrazine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-6-(trifluoromethyl)pyrazine;tetrakis(2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol)?
The InChIKey is GRQFXUOYSOKNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/4C13H9N3O2.3C12H6F6N3.C12H9F3N3.4Ir/c4*17-11-6-2-1-5-10(11)13-16-15-12(18-13)9-4-3-7-14-8-9;1-6-2-7(3-9(21-6)11(13,14)15)8-4-20-10(5-19-8)12(16,17)18;1-6-2-7(3-9(20-6)11(13,14)15)8-4-19-5-10(21-8)12(16,17)18;1-6-7(2-3-9(21-6)11(13,14)15)8-4-20-10(5-19-8)12(16,17)18;1-7-5-16-6-10(17-7)9-3-4-11(12(13,14)15)18-8(9)2;;;;/h4*1-8,17H;2*2,4-5H,1H3;3-5H,1H3;4-6H,1-2H3;;;;/q;;;;4*-1;;;;.
What are the key properties of tetrakis(iridium);2-methyl-6-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-5-(trifluoromethyl)pyrazine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-5-(trifluoromethyl)pyrazine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-6-(trifluoromethyl)pyrazine;tetrakis(2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol)?
tetrakis(iridium);2-methyl-6-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-5-(trifluoromethyl)pyrazine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-5-(trifluoromethyl)pyrazine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-6-(trifluoromethyl)pyrazine;tetrakis(2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol) has a molecular weight of 2896.59 g/mol, XLogP of 24.04, 12 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(iridium);2-methyl-6-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-5-(trifluoromethyl)pyrazine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-5-(trifluoromethyl)pyrazine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-6-(trifluoromethyl)pyrazine;tetrakis(2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol) is sourced from PubChem (CID 159637841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).