tetrakis(iridium);bis(3-(4-methylbenzene-6-id-1-yl)-5-(4-methylphenyl)-4-phenyl-1,2,4-triazole);bis(pentane-2,4-diol);bis(5-phenyl-2-phenyl-1,3,4-oxadiazole);pyridine-2-carboxylic acid

C88H83Ir4N11O8-4 — CID 159591765

IUPACtetrakis(iridium);bis(3-(4-methylbenzene-6-id-1-yl)-5-(4-methylphenyl)-4-phenyl-1,2,4-triazole);bis(pentane-2,4-diol);bis(5-phenyl-2-phenyl-1,3,4-oxadiazole);pyridine-2-carboxylic acid
SMILESCC(O)CC(C)O.CC(O)CC(C)O.Cc1c[c-]c(-c2nnc(-c3ccc(C)cc3)n2-c2ccccc2)cc1.Cc1c[c-]c(-c2nnc(-c3ccc(C)cc3)n2-c2ccccc2)cc1.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1nnc(-c2ccccc2)o1.[c-]1ccccc1-c1nnc(-c2ccccc2)o1
InChIInChI=1S/2C22H18N3.2C14H9N2O.C6H5NO2.2C5H12O2.4Ir/c2*1-16-8-12-18(13-9-16)21-23-24-22(19-14-10-17(2)11-15-19)25(21)20-6-4-3-5-7-20;2*1-3-7-11(8-4-1)13-15-16-14(17-13)12-9-5-2-6-10-12;8-6(9)5-3-1-2-4-7-5;2*1-4(6)3-5(2)7;;;;/h2*3-14H,1-2H3;2*1-9H;1-4H,(H,8,9);2*4-7H,3H2,1-2H3;;;;/q4*-1;;;;;;;
InChIKeyZBMBPUIMOWSKDF-UHFFFAOYSA-N
MW2191.57 g/mol
LogP17.49
Rot. Bonds15

About tetrakis(iridium);bis(3-(4-methylbenzene-6-id-1-yl)-5-(4-methylphenyl)-4-phenyl-1,2,4-triazole);bis(pentane-2,4-diol);bis(5-phenyl-2-phenyl-1,3,4-oxadiazole);pyridine-2-carboxylic acid

tetrakis(iridium);bis(3-(4-methylbenzene-6-id-1-yl)-5-(4-methylphenyl)-4-phenyl-1,2,4-triazole);bis(pentane-2,4-diol);bis(5-phenyl-2-phenyl-1,3,4-oxadiazole);pyridine-2-carboxylic acid (PubChem CID 159591765) has the molecular formula C88H83Ir4N11O8-4 and a molecular weight of 2191.57 g/mol. Its IUPAC name is tetrakis(iridium);bis(3-(4-methylbenzene-6-id-1-yl)-5-(4-methylphenyl)-4-phenyl-1,2,4-triazole);bis(pentane-2,4-diol);bis(5-phenyl-2-phenyl-1,3,4-oxadiazole);pyridine-2-carboxylic acid.

Molecular Properties

Compound Nametetrakis(iridium);bis(3-(4-methylbenzene-6-id-1-yl)-5-(4-methylphenyl)-4-phenyl-1,2,4-triazole);bis(pentane-2,4-diol);bis(5-phenyl-2-phenyl-1,3,4-oxadiazole);pyridine-2-carboxylic acid
PubChem CID159591765
Molecular FormulaC88H83Ir4N11O8-4
Molecular Weight2191.57 g/mol
Exact Mass2193.50
IUPAC Nametetrakis(iridium);bis(3-(4-methylbenzene-6-id-1-yl)-5-(4-methylphenyl)-4-phenyl-1,2,4-triazole);bis(pentane-2,4-diol);bis(5-phenyl-2-phenyl-1,3,4-oxadiazole);pyridine-2-carboxylic acid
SMILESCC(O)CC(C)O.CC(O)CC(C)O.Cc1c[c-]c(-c2nnc(-c3ccc(C)cc3)n2-c2ccccc2)cc1.Cc1c[c-]c(-c2nnc(-c3ccc(C)cc3)n2-c2ccccc2)cc1.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1nnc(-c2ccccc2)o1.[c-]1ccccc1-c1nnc(-c2ccccc2)o1
InChIInChI=1S/2C22H18N3.2C14H9N2O.C6H5NO2.2C5H12O2.4Ir/c2*1-16-8-12-18(13-9-16)21-23-24-22(19-14-10-17(2)11-15-19)25(21)20-6-4-3-5-7-20;2*1-3-7-11(8-4-1)13-15-16-14(17-13)12-9-5-2-6-10-12;8-6(9)5-3-1-2-4-7-5;2*1-4(6)3-5(2)7;;;;/h2*3-14H,1-2H3;2*1-9H;1-4H,(H,8,9);2*4-7H,3H2,1-2H3;;;;/q4*-1;;;;;;;
InChIKeyZBMBPUIMOWSKDF-UHFFFAOYSA-N
XLogP17.49
TPSA270.37 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds15
Heavy Atoms111
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002191.57
LogP ≤ 517.49
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze tetrakis(iridium);bis(3-(4-methylbenzene-6-id-1-yl)-5-(4-methylphenyl)-4-phenyl-1,2,4-triazole);bis(pentane-2,4-diol);bis(5-phenyl-2-phenyl-1,3,4-oxadiazole);pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Bis(3-(4-fluorobenzene-6-id-1-yl)-5-(4-fluorophenyl)-4-phenyl-1,2,4-triazole);4-(4-fluorophenyl)-5-phenyl-3-phenyl-1,2,4-triazole;tetrakis(iridium);tris(pentane-2,4-diol);5-phenyl-3-phenyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole;pyridine-2-carboxylic acid
CID 158508710
2-(4-Fluorobenzene-6-id-1-yl)-5-(4-fluorophenyl)-1,3,4-oxadiazole;tetrakis(iridium);2-(2,3,4,5,6-pentafluorophenyl)-5-phenyl-1,3,4-oxadiazole;tris(pentane-2,4-diol);2-(2,4,5-trifluorobenzene-6-id-1-yl)-5-(2,4,5-trifluorophenyl)-1,3,4-oxadiazole;2-(2,4,5-trifluoro-3-methylbenzene-6-id-1-yl)-5-(2,4,5-trifluoro-3-methylphenyl)-1,3,4-oxadiazole;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 159717301
1,3-Dimethoxypropane-1,3-diol;2-hydroxybenzaldehyde;hexakis(iridium);2-(methyliminomethyl)phenol;hexakis(3-methyl-4-phenyl-5-phenyl-1,2,4-triazole);pentane-2,4-diol;pyridine-2-carboxylic acid;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 162184532
Tetrakis(iridium);tris(4-methyl-5-phenyl-3-phenyl-1,2,4-triazole);tris(pentane-2,4-diol);4-(5-phenyl-3-phenyl-1,2,4-triazol-4-yl)pyridine;pyridine-2-carboxylic acid
CID 157750546
1,3-Dimethoxypropane-1,3-diol;6-(4-ethenylphenyl)hexane-2,4-diol;tetrakis(iridium);tetrakis(4-phenyl-2-phenyl-1,3,5-triazine);1-prop-2-enoxybutane-1,3-diol;pyridine-2-carboxylic acid
CID 157872575
5-[3-[3,5-Bis(4-methylphenyl)phenyl]benzene-6-id-1-yl]-1-methyl-3-propyl-1,2,4-triazole;1-[3,5-bis(4-methylphenyl)phenyl]-3-phenyl-5-propyl-1,2,4-triazole;bis(1-[3,5-bis(4-methylphenyl)phenyl]-5-phenyl-3-propyl-1,2,4-triazole);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;tris(iridium);pyridine-2-carboxylic acid
CID 158120386
hexakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;pentane-2,4-diol;pyrazine-2-carboxylic acid;pyridine-2-carboxylic acid;hexakis(9-pyrimidin-2-yl-1H-carbazol-1-ide);2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine
CID 158139070
hexakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;hexakis(4-(2H-naphthalen-2-id-1-yl)imidazo[1,2-a]benzimidazole);pentane-2,4-diol;pyrazine-2-carboxylic acid;pyridine-2-carboxylic acid;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine
CID 159037112
Tetrakis(iridium);3-(4-methylbenzene-6-id-1-yl)-4,5-bis(4-methylphenyl)-1,2,4-triazole;3-(2-methylbenzene-6-id-1-yl)-5-(2-methylphenyl)-4-phenyl-1,2,4-triazole;bis(3-(4-methylbenzene-6-id-1-yl)-5-(4-methylphenyl)-4-phenyl-1,2,4-triazole);tris(pentane-2,4-diol);pyridine-2-carboxylic acid
CID 159131409
Pentakis(iridium);tris(4-methyl-5-phenyl-3-phenyl-1,2,4-triazole);tetrakis(pentane-2,4-diol);3-(5-phenyl-3-phenyl-1,2,4-triazol-4-yl)pyridine;4-(5-phenyl-3-phenyl-1,2,4-triazol-4-yl)pyridine;pyridine-2-carboxylic acid
CID 159851812
1,3-Dimethoxypropane-1,3-diol;bis(2,6-dimethylheptane-3,5-diol);pentakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;pentakis(5-methyl-1-(2-methylphenyl)-3-phenyl-1,2,4-triazole);pyridine-2-carboxylic acid
CID 160685273
Bis(1-[3,5-bis(4-tert-butylphenyl)phenyl]-5-phenyl-3-propyl-1,2,4-triazole);5-butylpyridine-2-carboxylic acid;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;bis(iridium)
CID 161050207

Frequently Asked Questions

What is the IUPAC name of tetrakis(iridium);bis(3-(4-methylbenzene-6-id-1-yl)-5-(4-methylphenyl)-4-phenyl-1,2,4-triazole);bis(pentane-2,4-diol);bis(5-phenyl-2-phenyl-1,3,4-oxadiazole);pyridine-2-carboxylic acid?
The IUPAC name of tetrakis(iridium);bis(3-(4-methylbenzene-6-id-1-yl)-5-(4-methylphenyl)-4-phenyl-1,2,4-triazole);bis(pentane-2,4-diol);bis(5-phenyl-2-phenyl-1,3,4-oxadiazole);pyridine-2-carboxylic acid (CID 159591765) is tetrakis(iridium);bis(3-(4-methylbenzene-6-id-1-yl)-5-(4-methylphenyl)-4-phenyl-1,2,4-triazole);bis(pentane-2,4-diol);bis(5-phenyl-2-phenyl-1,3,4-oxadiazole);pyridine-2-carboxylic acid.
What is the SMILES notation for tetrakis(iridium);bis(3-(4-methylbenzene-6-id-1-yl)-5-(4-methylphenyl)-4-phenyl-1,2,4-triazole);bis(pentane-2,4-diol);bis(5-phenyl-2-phenyl-1,3,4-oxadiazole);pyridine-2-carboxylic acid?
The canonical SMILES for tetrakis(iridium);bis(3-(4-methylbenzene-6-id-1-yl)-5-(4-methylphenyl)-4-phenyl-1,2,4-triazole);bis(pentane-2,4-diol);bis(5-phenyl-2-phenyl-1,3,4-oxadiazole);pyridine-2-carboxylic acid is CC(O)CC(C)O.CC(O)CC(C)O.Cc1c[c-]c(-c2nnc(-c3ccc(C)cc3)n2-c2ccccc2)cc1.Cc1c[c-]c(-c2nnc(-c3ccc(C)cc3)n2-c2ccccc2)cc1.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1nnc(-c2ccccc2)o1.[c-]1ccccc1-c1nnc(-c2ccccc2)o1.
What is the InChIKey of tetrakis(iridium);bis(3-(4-methylbenzene-6-id-1-yl)-5-(4-methylphenyl)-4-phenyl-1,2,4-triazole);bis(pentane-2,4-diol);bis(5-phenyl-2-phenyl-1,3,4-oxadiazole);pyridine-2-carboxylic acid?
The InChIKey is ZBMBPUIMOWSKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H18N3.2C14H9N2O.C6H5NO2.2C5H12O2.4Ir/c2*1-16-8-12-18(13-9-16)21-23-24-22(19-14-10-17(2)11-15-19)25(21)20-6-4-3-5-7-20;2*1-3-7-11(8-4-1)13-15-16-14(17-13)12-9-5-2-6-10-12;8-6(9)5-3-1-2-4-7-5;2*1-4(6)3-5(2)7;;;;/h2*3-14H,1-2H3;2*1-9H;1-4H,(H,8,9);2*4-7H,3H2,1-2H3;;;;/q4*-1;;;;;;;.
What are the key properties of tetrakis(iridium);bis(3-(4-methylbenzene-6-id-1-yl)-5-(4-methylphenyl)-4-phenyl-1,2,4-triazole);bis(pentane-2,4-diol);bis(5-phenyl-2-phenyl-1,3,4-oxadiazole);pyridine-2-carboxylic acid?
tetrakis(iridium);bis(3-(4-methylbenzene-6-id-1-yl)-5-(4-methylphenyl)-4-phenyl-1,2,4-triazole);bis(pentane-2,4-diol);bis(5-phenyl-2-phenyl-1,3,4-oxadiazole);pyridine-2-carboxylic acid has a molecular weight of 2191.57 g/mol, XLogP of 17.49, 15 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(iridium);bis(3-(4-methylbenzene-6-id-1-yl)-5-(4-methylphenyl)-4-phenyl-1,2,4-triazole);bis(pentane-2,4-diol);bis(5-phenyl-2-phenyl-1,3,4-oxadiazole);pyridine-2-carboxylic acid is sourced from PubChem (CID 159591765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).