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

C98H84F12Ir3N10O8-6 — CID 159009010

IUPAC2,6-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
SMILESCC(C)(c1[c-]c(C(C)(C)c2ccccn2)ccc1)c1ccccn1.CC(C)(c1[c-]cc(C(F)(F)F)cc1)c1cccc(C(C)(C)c2[c-]cc(C(F)(F)F)cc2)n1.CC(C)(c1[c-]cccc1)c1[c-]c(C(C)(C)c2ccccn2)c(C(F)(F)F)cc1C(F)(F)F.O=C(O)c1cccc(C(=O)O)n1.O=C(O)c1cccc(C(=O)O)n1.[Ir].[Ir].[Ir].[c-]1c(-n2cccn2)cccc1-n1cccn1
InChIInChI=1S/2C25H21F6N.C22H23N2.C12H9N4.2C7H5NO4.3Ir/c1-22(2,16-8-12-18(13-9-16)24(26,27)28)20-6-5-7-21(32-20)23(3,4)17-10-14-19(15-11-17)25(29,30)31;1-22(2,16-10-6-5-7-11-16)17-14-18(23(3,4)21-12-8-9-13-32-21)20(25(29,30)31)15-19(17)24(26,27)28;1-21(2,19-12-5-7-14-23-19)17-10-9-11-18(16-17)22(3,4)20-13-6-8-15-24-20;1-4-11(15-8-2-6-13-15)10-12(5-1)16-9-3-7-14-16;2*9-6(10)4-2-1-3-5(8-4)7(11)12;;;/h5-8,10,12-15H,1-4H3;5-10,12-13,15H,1-4H3;5-15H,1-4H3;1-9H;2*1-3H,(H,9,10)(H,11,12);;;/q2*-2;2*-1;;;;;
InChIKeyUHAGNELCNMJXOX-UHFFFAOYSA-N
MW2334.44 g/mol
LogP22.48
Rot. Bonds18

About 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

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 (PubChem CID 159009010) has the molecular formula C98H84F12Ir3N10O8-6 and a molecular weight of 2334.44 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,6-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
PubChem CID159009010
Molecular FormulaC98H84F12Ir3N10O8-6
Molecular Weight2334.44 g/mol
Exact Mass2335.52
IUPAC Name2,6-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
SMILESCC(C)(c1[c-]c(C(C)(C)c2ccccn2)ccc1)c1ccccn1.CC(C)(c1[c-]cc(C(F)(F)F)cc1)c1cccc(C(C)(C)c2[c-]cc(C(F)(F)F)cc2)n1.CC(C)(c1[c-]cccc1)c1[c-]c(C(C)(C)c2ccccn2)c(C(F)(F)F)cc1C(F)(F)F.O=C(O)c1cccc(C(=O)O)n1.O=C(O)c1cccc(C(=O)O)n1.[Ir].[Ir].[Ir].[c-]1c(-n2cccn2)cccc1-n1cccn1
InChIInChI=1S/2C25H21F6N.C22H23N2.C12H9N4.2C7H5NO4.3Ir/c1-22(2,16-8-12-18(13-9-16)24(26,27)28)20-6-5-7-21(32-20)23(3,4)17-10-14-19(15-11-17)25(29,30)31;1-22(2,16-10-6-5-7-11-16)17-14-18(23(3,4)21-12-8-9-13-32-21)20(25(29,30)31)15-19(17)24(26,27)28;1-21(2,19-12-5-7-14-23-19)17-10-9-11-18(16-17)22(3,4)20-13-6-8-15-24-20;1-4-11(15-8-2-6-13-15)10-12(5-1)16-9-3-7-14-16;2*9-6(10)4-2-1-3-5(8-4)7(11)12;;;/h5-8,10,12-15H,1-4H3;5-10,12-13,15H,1-4H3;5-15H,1-4H3;1-9H;2*1-3H,(H,9,10)(H,11,12);;;/q2*-2;2*-1;;;;;
InChIKeyUHAGNELCNMJXOX-UHFFFAOYSA-N
XLogP22.48
TPSA262.18 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds18
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002334.44
LogP ≤ 522.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

methanol;bis(6-(6-pyridin-2-yl-2-pyridinyl)pyridine-2-carboxylate);bis(terbium(3+));tetrakis((Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate)
CID 139140582
iridium;5-[1-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-1-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]ethyl]pyridine-2-carboxylic acid
CID 58620971
Iridium;6-[5-phenyl-1-pyridin-2-yl-1-[6-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pentyl]pyridine-2-carboxylic acid
CID 58620987
Iridium;6-[pyrazin-2-yl-[6-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]methyl]pyridine-2-carboxylic acid;pyrrol-1-ide
CID 58621036
Iridium;6-[1-phenyl-5-pyrazin-2-yl-1-[6-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pentyl]pyridine-2-carboxylic acid
CID 58621490
Bis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis((2-carboxyphenyl)-phenyl-(4-pyridin-4-ylphenyl)phosphanium);bis(copper(1+));tetrakis(iridium);tetrakis(2-phenylquinoline)
CID 91867871
2-(4-Carboxy-2-pyridinyl)-6-(6-cyano-2-pyridinyl)pyridine-4-carboxylic acid;2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(1+)
CID 144596543
2,6-Bis(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;5-[1-ethyl-5-(2-methylpropyl)pyrrol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);thiocyanate
CID 145155885
2,6-Bis(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;5-[1-ethyl-5-(2-methylpropyl)pyrrol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);isothiocyanate
CID 145155971
Bis(2-(4-carboxy-2-pyridinyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine-4-carboxylic acid);ruthenium(2+)
CID 145623526
2,6-Bis(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-(3,4-difluorobenzene-6-id-1-yl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+)
CID 145639270
Dichloroplatinum;bis(3,5-dimethylpyrazol-1-ide);5-isoquinolin-1-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;pentakis(2-(5-methylpyrazol-2-id-3-yl)pyridine);platinum;pentakis(platinum(2+));bis(pyrazol-1-ide);pyridine-2-carboxylic acid;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 157148117

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(c1[c-]c(C(C)(C)c2ccccn2)ccc1)c1ccccn1.CC(C)(c1[c-]cc(C(F)(F)F)cc1)c1cccc(C(C)(C)c2[c-]cc(C(F)(F)F)cc2)n1.CC(C)(c1[c-]cccc1)c1[c-]c(C(C)(C)c2ccccn2)c(C(F)(F)F)cc1C(F)(F)F.O=C(O)c1cccc(C(=O)O)n1.O=C(O)c1cccc(C(=O)O)n1.[Ir].[Ir].[Ir].[c-]1c(-n2cccn2)cccc1-n1cccn1.
What is the InChIKey of 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?
The InChIKey is UHAGNELCNMJXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H21F6N.C22H23N2.C12H9N4.2C7H5NO4.3Ir/c1-22(2,16-8-12-18(13-9-16)24(26,27)28)20-6-5-7-21(32-20)23(3,4)17-10-14-19(15-11-17)25(29,30)31;1-22(2,16-10-6-5-7-11-16)17-14-18(23(3,4)21-12-8-9-13-32-21)20(25(29,30)31)15-19(17)24(26,27)28;1-21(2,19-12-5-7-14-23-19)17-10-9-11-18(16-17)22(3,4)20-13-6-8-15-24-20;1-4-11(15-8-2-6-13-15)10-12(5-1)16-9-3-7-14-16;2*9-6(10)4-2-1-3-5(8-4)7(11)12;;;/h5-8,10,12-15H,1-4H3;5-10,12-13,15H,1-4H3;5-15H,1-4H3;1-9H;2*1-3H,(H,9,10)(H,11,12);;;/q2*-2;2*-1;;;;;.
What are the key properties of 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?
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 has a molecular weight of 2334.44 g/mol, XLogP of 22.48, 18 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159009010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).