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

C197H154F3Ir3N24O8-9 — CID 159769314

IUPACtris(iridium);tetrakis(1-(4-methoxybenzene-6-id-1-yl)-3-(4-methoxyphenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);bis(1-(3-methylbenzene-6-id-1-yl)-3-(3-methylphenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
SMILESCOc1c[c-]c(-n2[c-][n+](-c3ccc(OC)cc3)c(-c3ccccc3)c2-c2ccccc2)cc1.COc1c[c-]c(-n2[c-][n+](-c3ccc(OC)cc3)c(-c3ccccc3)c2-c2ccccc2)cc1.COc1c[c-]c(-n2[c-][n+](-c3ccc(OC)cc3)c(-c3ccccc3)c2-c2ccccc2)cc1.COc1c[c-]c(-n2[c-][n+](-c3ccc(OC)cc3)c(-c3ccccc3)c2-c2ccccc2)cc1.Cc1cc[c-]c(-n2[c-][n+](-c3cccc(C)c3)c(-c3ccccc3)c2-c2ccccc2)c1.Cc1cc[c-]c(-n2[c-][n+](-c3cccc(C)c3)c(-c3ccccc3)c2-c2ccccc2)c1.Cc1n[n-]c(-c2ccccn2)n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Ir].[Ir].[Ir].c1ccc(-c2nnn[n-]2)nc1
InChIInChI=1S/4C29H23N2O2.2C29H23N2.C9H5F3N3.C8H7N4.C6H4N5.3Ir/c4*1-32-26-17-13-24(14-18-26)30-21-31(25-15-19-27(33-2)20-16-25)29(23-11-7-4-8-12-23)28(30)22-9-5-3-6-10-22;2*1-22-11-9-17-26(19-22)30-21-31(27-18-10-12-23(2)20-27)29(25-15-7-4-8-16-25)28(30)24-13-5-3-6-14-24;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;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*3-15,17-20H,1-2H3;2*3-17,19-20H,1-2H3;1-5H;2-5H,1H3;1-4H;;;/q9*-1;;;
InChIKeyRWPIQVJTENURDR-UHFFFAOYSA-N
MW3619.20 g/mol
LogP38.24
Rot. Bonds35

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

tris(iridium);tetrakis(1-(4-methoxybenzene-6-id-1-yl)-3-(4-methoxyphenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);bis(1-(3-methylbenzene-6-id-1-yl)-3-(3-methylphenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (PubChem CID 159769314) has the molecular formula C197H154F3Ir3N24O8-9 and a molecular weight of 3619.20 g/mol. Its IUPAC name is tris(iridium);tetrakis(1-(4-methoxybenzene-6-id-1-yl)-3-(4-methoxyphenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);bis(1-(3-methylbenzene-6-id-1-yl)-3-(3-methylphenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.

Molecular Properties

Compound Nametris(iridium);tetrakis(1-(4-methoxybenzene-6-id-1-yl)-3-(4-methoxyphenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);bis(1-(3-methylbenzene-6-id-1-yl)-3-(3-methylphenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
PubChem CID159769314
Molecular FormulaC197H154F3Ir3N24O8-9
Molecular Weight3619.20 g/mol
Exact Mass3619.13
IUPAC Nametris(iridium);tetrakis(1-(4-methoxybenzene-6-id-1-yl)-3-(4-methoxyphenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);bis(1-(3-methylbenzene-6-id-1-yl)-3-(3-methylphenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
SMILESCOc1c[c-]c(-n2[c-][n+](-c3ccc(OC)cc3)c(-c3ccccc3)c2-c2ccccc2)cc1.COc1c[c-]c(-n2[c-][n+](-c3ccc(OC)cc3)c(-c3ccccc3)c2-c2ccccc2)cc1.COc1c[c-]c(-n2[c-][n+](-c3ccc(OC)cc3)c(-c3ccccc3)c2-c2ccccc2)cc1.COc1c[c-]c(-n2[c-][n+](-c3ccc(OC)cc3)c(-c3ccccc3)c2-c2ccccc2)cc1.Cc1cc[c-]c(-n2[c-][n+](-c3cccc(C)c3)c(-c3ccccc3)c2-c2ccccc2)c1.Cc1cc[c-]c(-n2[c-][n+](-c3cccc(C)c3)c(-c3ccccc3)c2-c2ccccc2)c1.Cc1n[n-]c(-c2ccccn2)n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Ir].[Ir].[Ir].c1ccc(-c2nnn[n-]2)nc1
InChIInChI=1S/4C29H23N2O2.2C29H23N2.C9H5F3N3.C8H7N4.C6H4N5.3Ir/c4*1-32-26-17-13-24(14-18-26)30-21-31(25-15-19-27(33-2)20-16-25)29(23-11-7-4-8-12-23)28(30)22-9-5-3-6-10-22;2*1-22-11-9-17-26(19-22)30-21-31(27-18-10-12-23(2)20-27)29(25-15-7-4-8-16-25)28(30)24-13-5-3-6-14-24;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;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*3-15,17-20H,1-2H3;2*3-17,19-20H,1-2H3;1-5H;2-5H,1H3;1-4H;;;/q9*-1;;;
InChIKeyRWPIQVJTENURDR-UHFFFAOYSA-N
XLogP38.24
TPSA285.01 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds35
Heavy Atoms235
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003619.20
LogP ≤ 538.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

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

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Related Compounds

iridium;bis(1-(3-methoxybenzene-6-id-1-yl)-3-(3-methoxyphenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 57738068
iridium;bis(1-(4-methoxybenzene-6-id-1-yl)-3-(4-methoxyphenyl)-4,5-dimethyl-2H-imidazol-3-ium-2-ide);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 57738085
iridium;bis(1-(4-methoxybenzene-6-id-1-yl)-3-(4-methoxyphenyl)-2H-imidazol-3-ium-2-ide);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 57738262
bis(1-(2,4-dimethoxybenzene-6-id-1-yl)-3-(2,4-dimethoxyphenyl)-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 57738394
iridium;bis(1-(4-methoxybenzene-6-id-1-yl)-3-(4-methoxyphenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 57738453
1-(2,4-dimethoxybenzene-6-id-1-yl)-3-(2,4-dimethoxyphenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide;1-(2,4-dimethoxybenzene-6-id-1-yl)-3-(4-methoxyphenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide;iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 57738542
iridium;bis(1-(4-methoxybenzene-6-id-1-yl)-3-(4-methoxyphenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 57738610
iridium;bis(1-(4-methoxybenzene-6-id-1-yl)-3-(4-methoxyphenyl)-2H-benzimidazol-3-ium-2-ide);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 57738617
4-[2-(4-tert-butylbenzene-6-id-1-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidin-4-yl]-N,N-bis(4-tert-butylphenyl)aniline;[(E)-2-[2-[4-formyloxy-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;ruthenium(2+)
CID 153445592
N-(3,5-difluorophenyl)-8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(3,5-difluorophenyl)-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(3-fluorophenyl)-8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-(3-methoxyphenyl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-(3-methoxyphenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-(3-methoxyphenyl)-N-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 157068880
1-Benzyl-3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)pyrazole;tris(3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)-1-ethylpyrazole);bis(3-(2-ethoxy-4-fluorobenzene-6-id-1-yl)-1-methylpyrazole);bis(iridium);bis(iridium(3+));3-(1-methylimidazol-2-yl)-5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-diene;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 157071130
3-[3-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-1,2,4-triazol-1-yl]benzene-4-ide-1-carbonitrile;N-(4-methoxyphenyl)-N-(1-phenylpyrazol-3-yl)-6-[2-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyridin-2-amine;bis(platinum(2+))
CID 157216485

Frequently Asked Questions

What is the IUPAC name of tris(iridium);tetrakis(1-(4-methoxybenzene-6-id-1-yl)-3-(4-methoxyphenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);bis(1-(3-methylbenzene-6-id-1-yl)-3-(3-methylphenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The IUPAC name of tris(iridium);tetrakis(1-(4-methoxybenzene-6-id-1-yl)-3-(4-methoxyphenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);bis(1-(3-methylbenzene-6-id-1-yl)-3-(3-methylphenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (CID 159769314) is tris(iridium);tetrakis(1-(4-methoxybenzene-6-id-1-yl)-3-(4-methoxyphenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);bis(1-(3-methylbenzene-6-id-1-yl)-3-(3-methylphenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.
What is the SMILES notation for tris(iridium);tetrakis(1-(4-methoxybenzene-6-id-1-yl)-3-(4-methoxyphenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);bis(1-(3-methylbenzene-6-id-1-yl)-3-(3-methylphenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The canonical SMILES for tris(iridium);tetrakis(1-(4-methoxybenzene-6-id-1-yl)-3-(4-methoxyphenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);bis(1-(3-methylbenzene-6-id-1-yl)-3-(3-methylphenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is COc1c[c-]c(-n2[c-][n+](-c3ccc(OC)cc3)c(-c3ccccc3)c2-c2ccccc2)cc1.COc1c[c-]c(-n2[c-][n+](-c3ccc(OC)cc3)c(-c3ccccc3)c2-c2ccccc2)cc1.COc1c[c-]c(-n2[c-][n+](-c3ccc(OC)cc3)c(-c3ccccc3)c2-c2ccccc2)cc1.COc1c[c-]c(-n2[c-][n+](-c3ccc(OC)cc3)c(-c3ccccc3)c2-c2ccccc2)cc1.Cc1cc[c-]c(-n2[c-][n+](-c3cccc(C)c3)c(-c3ccccc3)c2-c2ccccc2)c1.Cc1cc[c-]c(-n2[c-][n+](-c3cccc(C)c3)c(-c3ccccc3)c2-c2ccccc2)c1.Cc1n[n-]c(-c2ccccn2)n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Ir].[Ir].[Ir].c1ccc(-c2nnn[n-]2)nc1.
What is the InChIKey of tris(iridium);tetrakis(1-(4-methoxybenzene-6-id-1-yl)-3-(4-methoxyphenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);bis(1-(3-methylbenzene-6-id-1-yl)-3-(3-methylphenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The InChIKey is RWPIQVJTENURDR-UHFFFAOYSA-N. The full InChI is InChI=1S/4C29H23N2O2.2C29H23N2.C9H5F3N3.C8H7N4.C6H4N5.3Ir/c4*1-32-26-17-13-24(14-18-26)30-21-31(25-15-19-27(33-2)20-16-25)29(23-11-7-4-8-12-23)28(30)22-9-5-3-6-10-22;2*1-22-11-9-17-26(19-22)30-21-31(27-18-10-12-23(2)20-27)29(25-15-7-4-8-16-25)28(30)24-13-5-3-6-14-24;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;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*3-15,17-20H,1-2H3;2*3-17,19-20H,1-2H3;1-5H;2-5H,1H3;1-4H;;;/q9*-1;;;.
What are the key properties of tris(iridium);tetrakis(1-(4-methoxybenzene-6-id-1-yl)-3-(4-methoxyphenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);bis(1-(3-methylbenzene-6-id-1-yl)-3-(3-methylphenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
tris(iridium);tetrakis(1-(4-methoxybenzene-6-id-1-yl)-3-(4-methoxyphenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);bis(1-(3-methylbenzene-6-id-1-yl)-3-(3-methylphenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine has a molecular weight of 3619.20 g/mol, XLogP of 38.24, 35 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for tris(iridium);tetrakis(1-(4-methoxybenzene-6-id-1-yl)-3-(4-methoxyphenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);bis(1-(3-methylbenzene-6-id-1-yl)-3-(3-methylphenyl)-4,5-diphenyl-2H-imidazol-3-ium-2-ide);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is sourced from PubChem (CID 159769314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).