4-(2,6-dimethyl-4-phenylphenyl)-3,5-dimethyl-1-phenylpyrazole;4-(2,6-dimethyl-4-phenylphenyl)-1-phenylpyrazole;4-(2,6-dimethyl-4-phenylphenyl)-1-phenyltriazole;4-(2,6-dimethyl-4-phenylphenyl)-2-phenyltriazole;tetrakis(iridium)

C92H78Ir4N10-4 — CID 161195701

IUPAC4-(2,6-dimethyl-4-phenylphenyl)-3,5-dimethyl-1-phenylpyrazole;4-(2,6-dimethyl-4-phenylphenyl)-1-phenylpyrazole;4-(2,6-dimethyl-4-phenylphenyl)-1-phenyltriazole;4-(2,6-dimethyl-4-phenylphenyl)-2-phenyltriazole;tetrakis(iridium)
SMILESCc1cc(-c2ccccc2)cc(C)c1-c1c(C)nn(-c2[c-]cccc2)c1C.Cc1cc(-c2ccccc2)cc(C)c1-c1cn(-c2[c-]cccc2)nn1.Cc1cc(-c2ccccc2)cc(C)c1-c1cnn(-c2[c-]cccc2)c1.Cc1cc(-c2ccccc2)cc(C)c1-c1cnn(-c2[c-]cccc2)n1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C25H23N2.C23H19N2.2C22H18N3.4Ir/c1-17-15-22(21-11-7-5-8-12-21)16-18(2)24(17)25-19(3)26-27(20(25)4)23-13-9-6-10-14-23;1-17-13-20(19-9-5-3-6-10-19)14-18(2)23(17)21-15-24-25(16-21)22-11-7-4-8-12-22;1-16-13-19(18-9-5-3-6-10-18)14-17(2)22(16)21-15-25(24-23-21)20-11-7-4-8-12-20;1-16-13-19(18-9-5-3-6-10-18)14-17(2)22(16)21-15-23-25(24-21)20-11-7-4-8-12-20;;;;/h5-13,15-16H,1-4H3;3-11,13-16H,1-2H3;2*3-11,13-15H,1-2H3;;;;/q4*-1;;;;
InChIKeyRGGLTZKBNOIJKJ-UHFFFAOYSA-N
MW2092.57 g/mol
LogP21.89
Rot. Bonds12

About 4-(2,6-dimethyl-4-phenylphenyl)-3,5-dimethyl-1-phenylpyrazole;4-(2,6-dimethyl-4-phenylphenyl)-1-phenylpyrazole;4-(2,6-dimethyl-4-phenylphenyl)-1-phenyltriazole;4-(2,6-dimethyl-4-phenylphenyl)-2-phenyltriazole;tetrakis(iridium)

4-(2,6-dimethyl-4-phenylphenyl)-3,5-dimethyl-1-phenylpyrazole;4-(2,6-dimethyl-4-phenylphenyl)-1-phenylpyrazole;4-(2,6-dimethyl-4-phenylphenyl)-1-phenyltriazole;4-(2,6-dimethyl-4-phenylphenyl)-2-phenyltriazole;tetrakis(iridium) (PubChem CID 161195701) has the molecular formula C92H78Ir4N10-4 and a molecular weight of 2092.57 g/mol. Its IUPAC name is 4-(2,6-dimethyl-4-phenylphenyl)-3,5-dimethyl-1-phenylpyrazole;4-(2,6-dimethyl-4-phenylphenyl)-1-phenylpyrazole;4-(2,6-dimethyl-4-phenylphenyl)-1-phenyltriazole;4-(2,6-dimethyl-4-phenylphenyl)-2-phenyltriazole;tetrakis(iridium).

Molecular Properties

Compound Name4-(2,6-dimethyl-4-phenylphenyl)-3,5-dimethyl-1-phenylpyrazole;4-(2,6-dimethyl-4-phenylphenyl)-1-phenylpyrazole;4-(2,6-dimethyl-4-phenylphenyl)-1-phenyltriazole;4-(2,6-dimethyl-4-phenylphenyl)-2-phenyltriazole;tetrakis(iridium)
PubChem CID161195701
Molecular FormulaC92H78Ir4N10-4
Molecular Weight2092.57 g/mol
Exact Mass2094.49
IUPAC Name4-(2,6-dimethyl-4-phenylphenyl)-3,5-dimethyl-1-phenylpyrazole;4-(2,6-dimethyl-4-phenylphenyl)-1-phenylpyrazole;4-(2,6-dimethyl-4-phenylphenyl)-1-phenyltriazole;4-(2,6-dimethyl-4-phenylphenyl)-2-phenyltriazole;tetrakis(iridium)
SMILESCc1cc(-c2ccccc2)cc(C)c1-c1c(C)nn(-c2[c-]cccc2)c1C.Cc1cc(-c2ccccc2)cc(C)c1-c1cn(-c2[c-]cccc2)nn1.Cc1cc(-c2ccccc2)cc(C)c1-c1cnn(-c2[c-]cccc2)c1.Cc1cc(-c2ccccc2)cc(C)c1-c1cnn(-c2[c-]cccc2)n1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C25H23N2.C23H19N2.2C22H18N3.4Ir/c1-17-15-22(21-11-7-5-8-12-21)16-18(2)24(17)25-19(3)26-27(20(25)4)23-13-9-6-10-14-23;1-17-13-20(19-9-5-3-6-10-19)14-18(2)23(17)21-15-24-25(16-21)22-11-7-4-8-12-22;1-16-13-19(18-9-5-3-6-10-18)14-17(2)22(16)21-15-25(24-23-21)20-11-7-4-8-12-20;1-16-13-19(18-9-5-3-6-10-18)14-17(2)22(16)21-15-23-25(24-21)20-11-7-4-8-12-20;;;;/h5-13,15-16H,1-4H3;3-11,13-16H,1-2H3;2*3-11,13-15H,1-2H3;;;;/q4*-1;;;;
InChIKeyRGGLTZKBNOIJKJ-UHFFFAOYSA-N
XLogP21.89
TPSA97.06 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms106
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002092.57
LogP ≤ 521.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 4-(2,6-dimethyl-4-phenylphenyl)-3,5-dimethyl-1-phenylpyrazole;4-(2,6-dimethyl-4-phenylphenyl)-1-phenylpyrazole;4-(2,6-dimethyl-4-phenylphenyl)-1-phenyltriazole;4-(2,6-dimethyl-4-phenylphenyl)-2-phenyltriazole;tetrakis(iridium) with MolForge

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Related Compounds

3,5-dimethyl-1-phenyl-4-(5-phenylbenzo[b][1]benzoborol-3-yl)pyrazole;4-(2,6-dimethyl-4-phenylphenyl)-2-phenylpyridine;3,5-dimethyl-1-phenyl-4-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)pyrazole;2-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyridine;bis(1-phenyl-4-(4-phenylphenyl)pyrazole);bis(rhodium(3+))
CID 159408111
4-(9,9-dibutylfluoren-2-yl)-2-(phenoxy)pyridine;3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole;4-(2,6-dimethyl-4-phenylphenyl)-2-phenylpyridine;3,5-dimethyl-1-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)pyrazole;bis(1-phenyl-4-(4-phenylphenyl)pyrazole);bis(rhodium(3+))
CID 159691573
CID 162463176
CID 162463176
bis(2,4-dimethyl-5-phenylimidazol-1-ide);bis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);2-phenylimidazol-3-ide;bis(1-phenyl-4-(4-phenylphenyl)pyrazole);3-phenylpyrazol-2-ide;platinum
CID 161422582
tris(3,5-dimethyl-4-phenyl-1-phenylpyrazole);iridium;bis(iridium(3+));1-methyl-3-phenyl-2H-benzimidazol-2-ide;2-phenyl-1,3-oxazole;tris(1-phenyl-4-(4-phenylphenyl)pyrazole);2-phenyl-1,3-thiazole
CID 159115156
2-(3-dibenzofuran-3-ylbenzene-6-id-1-yl)-1,3-oxazole;2-(3-dibenzothiophen-3-ylbenzene-6-id-1-yl)-1,3-thiazole;bis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);bis(1-phenyl-4-(4-phenylphenyl)pyrazole);bis(rhodium(3+))
CID 157496553
bis(3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole);iridium;iridium(3+);2-[3-(1-methylimidazol-2-yl)benzene-4-id-1-yl]-9-phenylcarbazole;1-methyl-3-(3-phenylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;bis(1-phenyl-4-(4-phenylphenyl)pyrazole)
CID 157361743
2,4-dimethyl-5-phenylimidazol-1-ide;3,5-dimethyl-1-phenyl-4-(4-phenylphenyl)pyrazole;3-methyl-5-phenylpyrazol-1-ide;4-phenylimidazol-3-ide;tris(1-phenyl-4-(4-phenylphenyl)pyrazole);3-phenyl-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-diene;platinum
CID 160989276
iridium(3+);bis(1-methyl-4-(2-phenylbenzene-6-id-1-yl)imidazole);3,4,5-trimethyl-1-phenylpyrazole
CID 58401403
5-[2-[3,5-bis[2-(2-phenyltriazol-4-yl)phenyl]phenyl]phenyl]-2-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyridine;iridium(3+)
CID 153458523
5-[2-[3,5-bis[4-fluoro-2-(1-phenylpyrazol-4-yl)phenyl]phenyl]phenyl]-2-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyridine;iridium(3+)
CID 153458174
CID 158260442
CID 158260442

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethyl-4-phenylphenyl)-3,5-dimethyl-1-phenylpyrazole;4-(2,6-dimethyl-4-phenylphenyl)-1-phenylpyrazole;4-(2,6-dimethyl-4-phenylphenyl)-1-phenyltriazole;4-(2,6-dimethyl-4-phenylphenyl)-2-phenyltriazole;tetrakis(iridium)?
The IUPAC name of 4-(2,6-dimethyl-4-phenylphenyl)-3,5-dimethyl-1-phenylpyrazole;4-(2,6-dimethyl-4-phenylphenyl)-1-phenylpyrazole;4-(2,6-dimethyl-4-phenylphenyl)-1-phenyltriazole;4-(2,6-dimethyl-4-phenylphenyl)-2-phenyltriazole;tetrakis(iridium) (CID 161195701) is 4-(2,6-dimethyl-4-phenylphenyl)-3,5-dimethyl-1-phenylpyrazole;4-(2,6-dimethyl-4-phenylphenyl)-1-phenylpyrazole;4-(2,6-dimethyl-4-phenylphenyl)-1-phenyltriazole;4-(2,6-dimethyl-4-phenylphenyl)-2-phenyltriazole;tetrakis(iridium).
What is the SMILES notation for 4-(2,6-dimethyl-4-phenylphenyl)-3,5-dimethyl-1-phenylpyrazole;4-(2,6-dimethyl-4-phenylphenyl)-1-phenylpyrazole;4-(2,6-dimethyl-4-phenylphenyl)-1-phenyltriazole;4-(2,6-dimethyl-4-phenylphenyl)-2-phenyltriazole;tetrakis(iridium)?
The canonical SMILES for 4-(2,6-dimethyl-4-phenylphenyl)-3,5-dimethyl-1-phenylpyrazole;4-(2,6-dimethyl-4-phenylphenyl)-1-phenylpyrazole;4-(2,6-dimethyl-4-phenylphenyl)-1-phenyltriazole;4-(2,6-dimethyl-4-phenylphenyl)-2-phenyltriazole;tetrakis(iridium) is Cc1cc(-c2ccccc2)cc(C)c1-c1c(C)nn(-c2[c-]cccc2)c1C.Cc1cc(-c2ccccc2)cc(C)c1-c1cn(-c2[c-]cccc2)nn1.Cc1cc(-c2ccccc2)cc(C)c1-c1cnn(-c2[c-]cccc2)c1.Cc1cc(-c2ccccc2)cc(C)c1-c1cnn(-c2[c-]cccc2)n1.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 4-(2,6-dimethyl-4-phenylphenyl)-3,5-dimethyl-1-phenylpyrazole;4-(2,6-dimethyl-4-phenylphenyl)-1-phenylpyrazole;4-(2,6-dimethyl-4-phenylphenyl)-1-phenyltriazole;4-(2,6-dimethyl-4-phenylphenyl)-2-phenyltriazole;tetrakis(iridium)?
The InChIKey is RGGLTZKBNOIJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N2.C23H19N2.2C22H18N3.4Ir/c1-17-15-22(21-11-7-5-8-12-21)16-18(2)24(17)25-19(3)26-27(20(25)4)23-13-9-6-10-14-23;1-17-13-20(19-9-5-3-6-10-19)14-18(2)23(17)21-15-24-25(16-21)22-11-7-4-8-12-22;1-16-13-19(18-9-5-3-6-10-18)14-17(2)22(16)21-15-25(24-23-21)20-11-7-4-8-12-20;1-16-13-19(18-9-5-3-6-10-18)14-17(2)22(16)21-15-23-25(24-21)20-11-7-4-8-12-20;;;;/h5-13,15-16H,1-4H3;3-11,13-16H,1-2H3;2*3-11,13-15H,1-2H3;;;;/q4*-1;;;;.
What are the key properties of 4-(2,6-dimethyl-4-phenylphenyl)-3,5-dimethyl-1-phenylpyrazole;4-(2,6-dimethyl-4-phenylphenyl)-1-phenylpyrazole;4-(2,6-dimethyl-4-phenylphenyl)-1-phenyltriazole;4-(2,6-dimethyl-4-phenylphenyl)-2-phenyltriazole;tetrakis(iridium)?
4-(2,6-dimethyl-4-phenylphenyl)-3,5-dimethyl-1-phenylpyrazole;4-(2,6-dimethyl-4-phenylphenyl)-1-phenylpyrazole;4-(2,6-dimethyl-4-phenylphenyl)-1-phenyltriazole;4-(2,6-dimethyl-4-phenylphenyl)-2-phenyltriazole;tetrakis(iridium) has a molecular weight of 2092.57 g/mol, XLogP of 21.89, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethyl-4-phenylphenyl)-3,5-dimethyl-1-phenylpyrazole;4-(2,6-dimethyl-4-phenylphenyl)-1-phenylpyrazole;4-(2,6-dimethyl-4-phenylphenyl)-1-phenyltriazole;4-(2,6-dimethyl-4-phenylphenyl)-2-phenyltriazole;tetrakis(iridium) is sourced from PubChem (CID 161195701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).