bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);1-(2,4-difluorobenzene-6-id-1-yl)-2-methylpyrazol-2-ium;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;2-(2,4-difluorobenzene-6-id-1-yl)pyrazol-2-ium-1-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;tris(iridium);pyridine-2-carboxylic acid;2,2,6,6-tetramethylheptane-3,5-dione

C80H65F12Ir3N10O6-5 — CID 157372887

IUPACbis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);1-(2,4-difluorobenzene-6-id-1-yl)-2-methylpyrazol-2-ium;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;2-(2,4-difluorobenzene-6-id-1-yl)pyrazol-2-ium-1-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;tris(iridium);pyridine-2-carboxylic acid;2,2,6,6-tetramethylheptane-3,5-dione
SMILESCC(C)(C)C(=O)CC(=O)C(C)(C)C.COc1ccnc(-c2[c-]cc(F)cc2F)c1.COc1ccnc(-c2[c-]cc(F)cc2F)c1.C[n+]1cccn1-c1[c-]cc(F)cc1F.Fc1c[c-]c(-[n+]2ccc[n-]2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-n2cccn2)c(F)c1.O=C(O)c1ccccn1.[Ir].[Ir].[Ir]
InChIInChI=1S/2C12H8F2NO.C11H6F2N.C11H20O2.C10H8F2N2.2C9H5F2N2.C6H5NO2.3Ir/c2*1-16-9-4-5-15-12(7-9)10-3-2-8(13)6-11(10)14;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;1-10(2,3)8(12)7-9(13)11(4,5)6;1-13-5-2-6-14(13)10-4-3-8(11)7-9(10)12;2*10-7-2-3-9(8(11)6-7)13-5-1-4-12-13;8-6(9)5-3-1-2-4-7-5;;;/h2*2,4-7H,1H3;1-4,6-7H;7H2,1-6H3;2-3,5-7H,1H3;2*1-2,4-6H;1-4H,(H,8,9);;;/q3*-1;;;2*-1;;;;
InChIKeyCNJXZHOZSOGPIA-UHFFFAOYSA-N
MW2067.09 g/mol
LogP16.21
Rot. Bonds11

About bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);1-(2,4-difluorobenzene-6-id-1-yl)-2-methylpyrazol-2-ium;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;2-(2,4-difluorobenzene-6-id-1-yl)pyrazol-2-ium-1-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;tris(iridium);pyridine-2-carboxylic acid;2,2,6,6-tetramethylheptane-3,5-dione

bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);1-(2,4-difluorobenzene-6-id-1-yl)-2-methylpyrazol-2-ium;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;2-(2,4-difluorobenzene-6-id-1-yl)pyrazol-2-ium-1-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;tris(iridium);pyridine-2-carboxylic acid;2,2,6,6-tetramethylheptane-3,5-dione (PubChem CID 157372887) has the molecular formula C80H65F12Ir3N10O6-5 and a molecular weight of 2067.09 g/mol. Its IUPAC name is bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);1-(2,4-difluorobenzene-6-id-1-yl)-2-methylpyrazol-2-ium;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;2-(2,4-difluorobenzene-6-id-1-yl)pyrazol-2-ium-1-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;tris(iridium);pyridine-2-carboxylic acid;2,2,6,6-tetramethylheptane-3,5-dione.

Molecular Properties

Compound Namebis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);1-(2,4-difluorobenzene-6-id-1-yl)-2-methylpyrazol-2-ium;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;2-(2,4-difluorobenzene-6-id-1-yl)pyrazol-2-ium-1-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;tris(iridium);pyridine-2-carboxylic acid;2,2,6,6-tetramethylheptane-3,5-dione
PubChem CID157372887
Molecular FormulaC80H65F12Ir3N10O6-5
Molecular Weight2067.09 g/mol
Exact Mass2068.38
IUPAC Namebis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);1-(2,4-difluorobenzene-6-id-1-yl)-2-methylpyrazol-2-ium;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;2-(2,4-difluorobenzene-6-id-1-yl)pyrazol-2-ium-1-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;tris(iridium);pyridine-2-carboxylic acid;2,2,6,6-tetramethylheptane-3,5-dione
SMILESCC(C)(C)C(=O)CC(=O)C(C)(C)C.COc1ccnc(-c2[c-]cc(F)cc2F)c1.COc1ccnc(-c2[c-]cc(F)cc2F)c1.C[n+]1cccn1-c1[c-]cc(F)cc1F.Fc1c[c-]c(-[n+]2ccc[n-]2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-n2cccn2)c(F)c1.O=C(O)c1ccccn1.[Ir].[Ir].[Ir]
InChIInChI=1S/2C12H8F2NO.C11H6F2N.C11H20O2.C10H8F2N2.2C9H5F2N2.C6H5NO2.3Ir/c2*1-16-9-4-5-15-12(7-9)10-3-2-8(13)6-11(10)14;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;1-10(2,3)8(12)7-9(13)11(4,5)6;1-13-5-2-6-14(13)10-4-3-8(11)7-9(10)12;2*10-7-2-3-9(8(11)6-7)13-5-1-4-12-13;8-6(9)5-3-1-2-4-7-5;;;/h2*2,4-7H,1H3;1-4,6-7H;7H2,1-6H3;2-3,5-7H,1H3;2*1-2,4-6H;1-4H,(H,8,9);;;/q3*-1;;;2*-1;;;;
InChIKeyCNJXZHOZSOGPIA-UHFFFAOYSA-N
XLogP16.21
TPSA186.07 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms111
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002067.09
LogP ≤ 516.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);1-(2,4-difluorobenzene-6-id-1-yl)-2-methylpyrazol-2-ium;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;2-(2,4-difluorobenzene-6-id-1-yl)pyrazol-2-ium-1-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;tris(iridium);pyridine-2-carboxylic acid;2,2,6,6-tetramethylheptane-3,5-dione 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

2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)-N,N-diphenylpyridin-4-amine;4-hydroxypent-3-en-2-one;pentakis(iridium);pyridine-2-carboxylic acid
CID 157181533
2-(3,3,4,4,5,5-Hexafluorocyclopenten-1-yl)-4-methoxypyridine;bis(2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)pyridine);4-hydroxypent-3-en-2-ylideneoxidanium;pentakis(iridium);bis(2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine);bis(2-phenylpyridine);bis(pyridine-2-carboxylic acid)
CID 157289839
2,6-Bis(2-phenylpropan-2-yl)pyridine;2,6-dipyridin-2-ylpyridine;bis(iridium);bis(iridium(3+));2-[2-(4-methylbenzene-6-id-1-yl)propan-2-yl]-6-[2-[4-(trifluoromethyl)benzene-6-id-1-yl]propan-2-yl]pyridine;bis(1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole);bis(pyridine-2,6-dicarboxylic acid);2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;2-[2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]propan-2-yl]pyridine;2-[2-[5-(2-pyridin-2-ylpropan-2-yl)-2,4-bis(trifluoromethyl)benzene-6-id-1-yl]propan-2-yl]pyridine;rhenium
CID 157453449
2,6-bis(2-phenylpropan-2-yl)pyridine;2,6-bis[2-[4-(trifluoromethyl)benzene-6-id-1-yl]propan-2-yl]pyridine;bis(iridium);bis(iridium(3+));1-[3-(4H-pyrazol-1-ium-1-yl)benzene-2-id-1-yl]pyrazole;1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole;bis(pyridine-2,6-dicarboxylic acid);2-[2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]propan-2-yl]pyridine;2-[2-[5-(2-pyridin-2-ylpropan-2-yl)-2,4-bis(trifluoromethyl)benzene-6-id-1-yl]propan-2-yl]pyridine
CID 158041425
acetyl(pyridine-2-carbonyl)azanide;acetyl(pyridin-2-ylmethyl)azanide;2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine);bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);pentakis(iridium);pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 158056798
methyl 5-(2-methylpropyl)pyridine-2-carboxylate;5-(2-methylpropyl)-2-(5-methylpyrazol-2-id-3-yl)pyridine;5-(2-methylpropyl)pyridine-2-carboxylic acid;5-(2-methylpropyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;5-(2-methylpropyl)-2-[5-(trifluoromethyl)-2H-pyrrol-3-yl]pyridine;platinum(2+);1,1,1-trifluoro-4-hydroxy-4-[5-(2-methylpropyl)-2-pyridinyl]but-3-en-2-one
CID 158273321
2,6-Bis(2-phenylpropan-2-yl)pyridine;bis(iridium);bis(iridium(3+));2-[2-(4-methylbenzene-6-id-1-yl)propan-2-yl]-6-[2-[4-(trifluoromethyl)benzene-6-id-1-yl]propan-2-yl]pyridine;bis(1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole);bis(pyridine-2,6-dicarboxylic acid);2-[2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]propan-2-yl]pyridine;2-[2-[5-(2-pyridin-2-ylpropan-2-yl)-2,4-bis(trifluoromethyl)benzene-6-id-1-yl]propan-2-yl]pyridine
CID 158675326
2-(2,4-Difluorobenzene-6-id-1-yl)-4-methoxypyridine;tetrakis([2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;4-hydroxypent-3-en-2-one;platinum;platinum(2+);pyridine-2-carboxylic acid
CID 158959065
2,6-Bis[2-[4-(trifluoromethyl)benzene-6-id-1-yl]propan-2-yl]pyridine;tris(iridium);2-[2-[5-(2-phenylpropan-2-yl)-2,4-bis(trifluoromethyl)benzene-6-id-1-yl]propan-2-yl]pyridine;1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole;bis(pyridine-2,6-dicarboxylic acid);2-[2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]propan-2-yl]pyridine
CID 159009010
bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-4-(2,2-dimethylpropyl)pyridine;3-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;tetrakis(iridium);tris(pyridine-2-carboxylic acid);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 159109777
Heptakis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;4-hydroxypent-3-en-2-one;platinum;bis(platinum(2+));pyridine-2-carboxylic acid
CID 159130091
2,6-Bis(2-phenylpropan-2-yl)pyridine;2,6-bis[2-[4-(trifluoromethyl)benzene-6-id-1-yl]propan-2-yl]pyridine;bis(iridium);bis(iridium(3+));bis(1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole);bis(pyridine-2,6-dicarboxylic acid);2-[2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]propan-2-yl]pyridine;2-[2-[5-(2-pyridin-2-ylpropan-2-yl)-2,4-bis(trifluoromethyl)benzene-6-id-1-yl]propan-2-yl]pyridine
CID 160191597

Frequently Asked Questions

What is the IUPAC name of bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);1-(2,4-difluorobenzene-6-id-1-yl)-2-methylpyrazol-2-ium;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;2-(2,4-difluorobenzene-6-id-1-yl)pyrazol-2-ium-1-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;tris(iridium);pyridine-2-carboxylic acid;2,2,6,6-tetramethylheptane-3,5-dione?
The IUPAC name of bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);1-(2,4-difluorobenzene-6-id-1-yl)-2-methylpyrazol-2-ium;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;2-(2,4-difluorobenzene-6-id-1-yl)pyrazol-2-ium-1-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;tris(iridium);pyridine-2-carboxylic acid;2,2,6,6-tetramethylheptane-3,5-dione (CID 157372887) is bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);1-(2,4-difluorobenzene-6-id-1-yl)-2-methylpyrazol-2-ium;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;2-(2,4-difluorobenzene-6-id-1-yl)pyrazol-2-ium-1-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;tris(iridium);pyridine-2-carboxylic acid;2,2,6,6-tetramethylheptane-3,5-dione.
What is the SMILES notation for bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);1-(2,4-difluorobenzene-6-id-1-yl)-2-methylpyrazol-2-ium;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;2-(2,4-difluorobenzene-6-id-1-yl)pyrazol-2-ium-1-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;tris(iridium);pyridine-2-carboxylic acid;2,2,6,6-tetramethylheptane-3,5-dione?
The canonical SMILES for bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);1-(2,4-difluorobenzene-6-id-1-yl)-2-methylpyrazol-2-ium;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;2-(2,4-difluorobenzene-6-id-1-yl)pyrazol-2-ium-1-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;tris(iridium);pyridine-2-carboxylic acid;2,2,6,6-tetramethylheptane-3,5-dione is CC(C)(C)C(=O)CC(=O)C(C)(C)C.COc1ccnc(-c2[c-]cc(F)cc2F)c1.COc1ccnc(-c2[c-]cc(F)cc2F)c1.C[n+]1cccn1-c1[c-]cc(F)cc1F.Fc1c[c-]c(-[n+]2ccc[n-]2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-n2cccn2)c(F)c1.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].
What is the InChIKey of bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);1-(2,4-difluorobenzene-6-id-1-yl)-2-methylpyrazol-2-ium;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;2-(2,4-difluorobenzene-6-id-1-yl)pyrazol-2-ium-1-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;tris(iridium);pyridine-2-carboxylic acid;2,2,6,6-tetramethylheptane-3,5-dione?
The InChIKey is CNJXZHOZSOGPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H8F2NO.C11H6F2N.C11H20O2.C10H8F2N2.2C9H5F2N2.C6H5NO2.3Ir/c2*1-16-9-4-5-15-12(7-9)10-3-2-8(13)6-11(10)14;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;1-10(2,3)8(12)7-9(13)11(4,5)6;1-13-5-2-6-14(13)10-4-3-8(11)7-9(10)12;2*10-7-2-3-9(8(11)6-7)13-5-1-4-12-13;8-6(9)5-3-1-2-4-7-5;;;/h2*2,4-7H,1H3;1-4,6-7H;7H2,1-6H3;2-3,5-7H,1H3;2*1-2,4-6H;1-4H,(H,8,9);;;/q3*-1;;;2*-1;;;;.
What are the key properties of bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);1-(2,4-difluorobenzene-6-id-1-yl)-2-methylpyrazol-2-ium;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;2-(2,4-difluorobenzene-6-id-1-yl)pyrazol-2-ium-1-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;tris(iridium);pyridine-2-carboxylic acid;2,2,6,6-tetramethylheptane-3,5-dione?
bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);1-(2,4-difluorobenzene-6-id-1-yl)-2-methylpyrazol-2-ium;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;2-(2,4-difluorobenzene-6-id-1-yl)pyrazol-2-ium-1-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;tris(iridium);pyridine-2-carboxylic acid;2,2,6,6-tetramethylheptane-3,5-dione has a molecular weight of 2067.09 g/mol, XLogP of 16.21, 11 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);1-(2,4-difluorobenzene-6-id-1-yl)-2-methylpyrazol-2-ium;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;2-(2,4-difluorobenzene-6-id-1-yl)pyrazol-2-ium-1-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;tris(iridium);pyridine-2-carboxylic acid;2,2,6,6-tetramethylheptane-3,5-dione is sourced from PubChem (CID 157372887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).