tetrakis(iridium);tetrakis(1-(4-methylbenzene-6-id-1-yl)-3-(4-methylphenyl)-2H-imidazol-3-ium-2-ide);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;tetrakis(1-phenyl-3-phenyl-2H-imidazol-1-ium-2-ide);2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

C159H124F6Ir4N32-12 — CID 158468704

IUPACtetrakis(iridium);tetrakis(1-(4-methylbenzene-6-id-1-yl)-3-(4-methylphenyl)-2H-imidazol-3-ium-2-ide);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;tetrakis(1-phenyl-3-phenyl-2H-imidazol-1-ium-2-ide);2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
SMILESCc1c[c-]c(-n2[c-][n+](-c3ccc(C)cc3)cc2)cc1.Cc1c[c-]c(-n2[c-][n+](-c3ccc(C)cc3)cc2)cc1.Cc1c[c-]c(-n2[c-][n+](-c3ccc(C)cc3)cc2)cc1.Cc1c[c-]c(-n2[c-][n+](-c3ccc(C)cc3)cc2)cc1.Cc1n[n-]c(-c2ccccn2)n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1n[n-]c(-c2ccccn2)n1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-n1[c-][n+](-c2ccccc2)cc1.[c-]1ccccc1-n1[c-][n+](-c2ccccc2)cc1.[c-]1ccccc1-n1[c-][n+](-c2ccccc2)cc1.[c-]1ccccc1-n1[c-][n+](-c2ccccc2)cc1.c1ccc(-c2nnn[n-]2)nc1
InChIInChI=1S/4C17H15N2.4C15H11N2.C9H5F3N3.C8H4F3N4.C8H7N4.C6H4N5.4Ir/c4*1-14-3-7-16(8-4-14)18-11-12-19(13-18)17-9-5-15(2)6-10-17;4*1-3-7-14(8-4-1)16-11-12-17(13-16)15-9-5-2-6-10-15;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;9-8(10,11)7-13-6(14-15-7)5-3-1-2-4-12-5;1-6-10-8(12-11-6)7-4-2-3-5-9-7;1-2-4-7-5(3-1)6-8-10-11-9-6;;;;/h4*3-9,11-12H,1-2H3;4*1-9,11-12H;1-5H;1-4H;2-5H,1H3;1-4H;;;;/q12*-1;;;;
InChIKeyGEMVJUNBJSQASQ-UHFFFAOYSA-N
MW3365.82 g/mol
LogP25.62
Rot. Bonds20

About tetrakis(iridium);tetrakis(1-(4-methylbenzene-6-id-1-yl)-3-(4-methylphenyl)-2H-imidazol-3-ium-2-ide);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;tetrakis(1-phenyl-3-phenyl-2H-imidazol-1-ium-2-ide);2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

tetrakis(iridium);tetrakis(1-(4-methylbenzene-6-id-1-yl)-3-(4-methylphenyl)-2H-imidazol-3-ium-2-ide);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;tetrakis(1-phenyl-3-phenyl-2H-imidazol-1-ium-2-ide);2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (PubChem CID 158468704) has the molecular formula C159H124F6Ir4N32-12 and a molecular weight of 3365.82 g/mol. Its IUPAC name is tetrakis(iridium);tetrakis(1-(4-methylbenzene-6-id-1-yl)-3-(4-methylphenyl)-2H-imidazol-3-ium-2-ide);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;tetrakis(1-phenyl-3-phenyl-2H-imidazol-1-ium-2-ide);2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.

Molecular Properties

Compound Nametetrakis(iridium);tetrakis(1-(4-methylbenzene-6-id-1-yl)-3-(4-methylphenyl)-2H-imidazol-3-ium-2-ide);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;tetrakis(1-phenyl-3-phenyl-2H-imidazol-1-ium-2-ide);2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
PubChem CID158468704
Molecular FormulaC159H124F6Ir4N32-12
Molecular Weight3365.82 g/mol
Exact Mass3366.92
IUPAC Nametetrakis(iridium);tetrakis(1-(4-methylbenzene-6-id-1-yl)-3-(4-methylphenyl)-2H-imidazol-3-ium-2-ide);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;tetrakis(1-phenyl-3-phenyl-2H-imidazol-1-ium-2-ide);2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
SMILESCc1c[c-]c(-n2[c-][n+](-c3ccc(C)cc3)cc2)cc1.Cc1c[c-]c(-n2[c-][n+](-c3ccc(C)cc3)cc2)cc1.Cc1c[c-]c(-n2[c-][n+](-c3ccc(C)cc3)cc2)cc1.Cc1c[c-]c(-n2[c-][n+](-c3ccc(C)cc3)cc2)cc1.Cc1n[n-]c(-c2ccccn2)n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1n[n-]c(-c2ccccn2)n1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-n1[c-][n+](-c2ccccc2)cc1.[c-]1ccccc1-n1[c-][n+](-c2ccccc2)cc1.[c-]1ccccc1-n1[c-][n+](-c2ccccc2)cc1.[c-]1ccccc1-n1[c-][n+](-c2ccccc2)cc1.c1ccc(-c2nnn[n-]2)nc1
InChIInChI=1S/4C17H15N2.4C15H11N2.C9H5F3N3.C8H4F3N4.C8H7N4.C6H4N5.4Ir/c4*1-14-3-7-16(8-4-14)18-11-12-19(13-18)17-9-5-15(2)6-10-17;4*1-3-7-14(8-4-1)16-11-12-17(13-16)15-9-5-2-6-10-15;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;9-8(10,11)7-13-6(14-15-7)5-3-1-2-4-12-5;1-6-10-8(12-11-6)7-4-2-3-5-9-7;1-2-4-7-5(3-1)6-8-10-11-9-6;;;;/h4*3-9,11-12H,1-2H3;4*1-9,11-12H;1-5H;1-4H;2-5H,1H3;1-4H;;;;/q12*-1;;;;
InChIKeyGEMVJUNBJSQASQ-UHFFFAOYSA-N
XLogP25.62
TPSA281.56 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds20
Heavy Atoms201
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003365.82
LogP ≤ 525.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze tetrakis(iridium);tetrakis(1-(4-methylbenzene-6-id-1-yl)-3-(4-methylphenyl)-2H-imidazol-3-ium-2-ide);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;tetrakis(1-phenyl-3-phenyl-2H-imidazol-1-ium-2-ide);2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine with MolForge

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Related Compounds

Bis(2-[4-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)phenyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyridine);bis(2-[4-[4-(1,1,2,2,3,3-hexafluoropropyl)phenyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyridine);bis(iron(3+));tetraisothiocyanate
CID 139142845
C83H66F42N31Ag7
CID 139181961
Tetrakis(dimethyl(phenyl)phosphanium);bis(osmium(2+));bis(2-pyridin-2-ylpyridine);3-(trifluoromethyl)-5-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-1,4-diaza-2-azanidacyclopenta-3,5-diene;3-(trifluoromethyl)-5-[5-(trifluoromethyl)-2,4-diaza-1-azanidacyclopenta-2,4-dien-3-yl]-1,4-diaza-2-azanidacyclopenta-3,5-diene
CID 168338209
7-[4-[5-Methyl-3,4-bis([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrazol-1-yl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 139236297
iridium;bis(1-(3-methylbenzene-6-id-1-yl)-3-(3-methylphenyl)-2H-imidazol-3-ium-2-ide);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 57738096
bis(1-(3-fluorobenzene-6-id-1-yl)-3-(3-fluorophenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 57738120
bis(1-(2,4-difluorobenzene-6-id-1-yl)-3-methyl-4,5-diphenyl-2H-imidazol-3-ium-2-ide);iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 57738187
iridium;bis(1-(4-methylbenzene-6-id-1-yl)-3-(4-methylphenyl)-2H-benzimidazol-3-ium-2-ide);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 57738199
bis(1-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-3-methyl-4,5-diphenyl-2H-imidazol-3-ium-2-ide);iridium;2-pyrazol-2-id-3-ylpyridine
CID 57738264
bis(1-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);iridium;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 57738269
bis(1-[2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-3-methyl-4,5-diphenyl-2H-imidazol-3-ium-2-ide);iridium;2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine
CID 57738279
bis(1-(3-fluorobenzene-6-id-1-yl)-3-methyl-4,5-diphenyl-2H-imidazol-3-ium-2-ide);iridium;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 57738289

Frequently Asked Questions

What is the IUPAC name of tetrakis(iridium);tetrakis(1-(4-methylbenzene-6-id-1-yl)-3-(4-methylphenyl)-2H-imidazol-3-ium-2-ide);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;tetrakis(1-phenyl-3-phenyl-2H-imidazol-1-ium-2-ide);2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The IUPAC name of tetrakis(iridium);tetrakis(1-(4-methylbenzene-6-id-1-yl)-3-(4-methylphenyl)-2H-imidazol-3-ium-2-ide);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;tetrakis(1-phenyl-3-phenyl-2H-imidazol-1-ium-2-ide);2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (CID 158468704) is tetrakis(iridium);tetrakis(1-(4-methylbenzene-6-id-1-yl)-3-(4-methylphenyl)-2H-imidazol-3-ium-2-ide);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;tetrakis(1-phenyl-3-phenyl-2H-imidazol-1-ium-2-ide);2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.
What is the SMILES notation for tetrakis(iridium);tetrakis(1-(4-methylbenzene-6-id-1-yl)-3-(4-methylphenyl)-2H-imidazol-3-ium-2-ide);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;tetrakis(1-phenyl-3-phenyl-2H-imidazol-1-ium-2-ide);2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The canonical SMILES for tetrakis(iridium);tetrakis(1-(4-methylbenzene-6-id-1-yl)-3-(4-methylphenyl)-2H-imidazol-3-ium-2-ide);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;tetrakis(1-phenyl-3-phenyl-2H-imidazol-1-ium-2-ide);2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is Cc1c[c-]c(-n2[c-][n+](-c3ccc(C)cc3)cc2)cc1.Cc1c[c-]c(-n2[c-][n+](-c3ccc(C)cc3)cc2)cc1.Cc1c[c-]c(-n2[c-][n+](-c3ccc(C)cc3)cc2)cc1.Cc1c[c-]c(-n2[c-][n+](-c3ccc(C)cc3)cc2)cc1.Cc1n[n-]c(-c2ccccn2)n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1n[n-]c(-c2ccccn2)n1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-n1[c-][n+](-c2ccccc2)cc1.[c-]1ccccc1-n1[c-][n+](-c2ccccc2)cc1.[c-]1ccccc1-n1[c-][n+](-c2ccccc2)cc1.[c-]1ccccc1-n1[c-][n+](-c2ccccc2)cc1.c1ccc(-c2nnn[n-]2)nc1.
What is the InChIKey of tetrakis(iridium);tetrakis(1-(4-methylbenzene-6-id-1-yl)-3-(4-methylphenyl)-2H-imidazol-3-ium-2-ide);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;tetrakis(1-phenyl-3-phenyl-2H-imidazol-1-ium-2-ide);2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The InChIKey is GEMVJUNBJSQASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C17H15N2.4C15H11N2.C9H5F3N3.C8H4F3N4.C8H7N4.C6H4N5.4Ir/c4*1-14-3-7-16(8-4-14)18-11-12-19(13-18)17-9-5-15(2)6-10-17;4*1-3-7-14(8-4-1)16-11-12-17(13-16)15-9-5-2-6-10-15;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;9-8(10,11)7-13-6(14-15-7)5-3-1-2-4-12-5;1-6-10-8(12-11-6)7-4-2-3-5-9-7;1-2-4-7-5(3-1)6-8-10-11-9-6;;;;/h4*3-9,11-12H,1-2H3;4*1-9,11-12H;1-5H;1-4H;2-5H,1H3;1-4H;;;;/q12*-1;;;;.
What are the key properties of tetrakis(iridium);tetrakis(1-(4-methylbenzene-6-id-1-yl)-3-(4-methylphenyl)-2H-imidazol-3-ium-2-ide);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;tetrakis(1-phenyl-3-phenyl-2H-imidazol-1-ium-2-ide);2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
tetrakis(iridium);tetrakis(1-(4-methylbenzene-6-id-1-yl)-3-(4-methylphenyl)-2H-imidazol-3-ium-2-ide);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;tetrakis(1-phenyl-3-phenyl-2H-imidazol-1-ium-2-ide);2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine has a molecular weight of 3365.82 g/mol, XLogP of 25.62, 20 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(iridium);tetrakis(1-(4-methylbenzene-6-id-1-yl)-3-(4-methylphenyl)-2H-imidazol-3-ium-2-ide);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;tetrakis(1-phenyl-3-phenyl-2H-imidazol-1-ium-2-ide);2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is sourced from PubChem (CID 158468704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).