2-(3,6-dimethyl-2-pyridinyl)-6-methoxyquinoline;2-(4,6-dimethyl-2-pyridinyl)-6-methoxyquinoline;tetrakis(iridium);6-methoxy-2-(3,5,6-trimethyl-2-pyridinyl)quinoline;tetrakis(pentane-2,4-diol);2-pyridin-2-yl-6-(trifluoromethyl)quinoline

C87H107F3Ir4N8O11 — CID 158994730

IUPAC2-(3,6-dimethyl-2-pyridinyl)-6-methoxyquinoline;2-(4,6-dimethyl-2-pyridinyl)-6-methoxyquinoline;tetrakis(iridium);6-methoxy-2-(3,5,6-trimethyl-2-pyridinyl)quinoline;tetrakis(pentane-2,4-diol);2-pyridin-2-yl-6-(trifluoromethyl)quinoline
SMILESCC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.COc1ccc2nc(-c3cc(C)cc(C)n3)ccc2c1.COc1ccc2nc(-c3nc(C)c(C)cc3C)ccc2c1.COc1ccc2nc(-c3nc(C)ccc3C)ccc2c1.FC(F)(F)c1ccc2nc(-c3ccccn3)ccc2c1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C18H18N2O.2C17H16N2O.C15H9F3N2.4C5H12O2.4Ir/c1-11-9-12(2)18(19-13(11)3)17-7-5-14-10-15(21-4)6-8-16(14)20-17;1-11-8-12(2)18-17(9-11)16-6-4-13-10-14(20-3)5-7-15(13)19-16;1-11-4-5-12(2)18-17(11)16-8-6-13-10-14(20-3)7-9-15(13)19-16;16-15(17,18)11-5-7-12-10(9-11)4-6-14(20-12)13-3-1-2-8-19-13;4*1-4(6)3-5(2)7;;;;/h5-10H,1-4H3;2*4-10H,1-3H3;1-9H;4*4-7H,3H2,1-2H3;;;;
InChIKeyIDKIQVHXEXFAED-UHFFFAOYSA-N
MW2266.72 g/mol
LogP16.93
Rot. Bonds15

About 2-(3,6-dimethyl-2-pyridinyl)-6-methoxyquinoline;2-(4,6-dimethyl-2-pyridinyl)-6-methoxyquinoline;tetrakis(iridium);6-methoxy-2-(3,5,6-trimethyl-2-pyridinyl)quinoline;tetrakis(pentane-2,4-diol);2-pyridin-2-yl-6-(trifluoromethyl)quinoline

2-(3,6-dimethyl-2-pyridinyl)-6-methoxyquinoline;2-(4,6-dimethyl-2-pyridinyl)-6-methoxyquinoline;tetrakis(iridium);6-methoxy-2-(3,5,6-trimethyl-2-pyridinyl)quinoline;tetrakis(pentane-2,4-diol);2-pyridin-2-yl-6-(trifluoromethyl)quinoline (PubChem CID 158994730) has the molecular formula C87H107F3Ir4N8O11 and a molecular weight of 2266.72 g/mol. Its IUPAC name is 2-(3,6-dimethyl-2-pyridinyl)-6-methoxyquinoline;2-(4,6-dimethyl-2-pyridinyl)-6-methoxyquinoline;tetrakis(iridium);6-methoxy-2-(3,5,6-trimethyl-2-pyridinyl)quinoline;tetrakis(pentane-2,4-diol);2-pyridin-2-yl-6-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name2-(3,6-dimethyl-2-pyridinyl)-6-methoxyquinoline;2-(4,6-dimethyl-2-pyridinyl)-6-methoxyquinoline;tetrakis(iridium);6-methoxy-2-(3,5,6-trimethyl-2-pyridinyl)quinoline;tetrakis(pentane-2,4-diol);2-pyridin-2-yl-6-(trifluoromethyl)quinoline
PubChem CID158994730
Molecular FormulaC87H107F3Ir4N8O11
Molecular Weight2266.72 g/mol
Exact Mass2268.65
IUPAC Name2-(3,6-dimethyl-2-pyridinyl)-6-methoxyquinoline;2-(4,6-dimethyl-2-pyridinyl)-6-methoxyquinoline;tetrakis(iridium);6-methoxy-2-(3,5,6-trimethyl-2-pyridinyl)quinoline;tetrakis(pentane-2,4-diol);2-pyridin-2-yl-6-(trifluoromethyl)quinoline
SMILESCC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.COc1ccc2nc(-c3cc(C)cc(C)n3)ccc2c1.COc1ccc2nc(-c3nc(C)c(C)cc3C)ccc2c1.COc1ccc2nc(-c3nc(C)ccc3C)ccc2c1.FC(F)(F)c1ccc2nc(-c3ccccn3)ccc2c1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C18H18N2O.2C17H16N2O.C15H9F3N2.4C5H12O2.4Ir/c1-11-9-12(2)18(19-13(11)3)17-7-5-14-10-15(21-4)6-8-16(14)20-17;1-11-8-12(2)18-17(9-11)16-6-4-13-10-14(20-3)5-7-15(13)19-16;1-11-4-5-12(2)18-17(11)16-8-6-13-10-14(20-3)7-9-15(13)19-16;16-15(17,18)11-5-7-12-10(9-11)4-6-14(20-12)13-3-1-2-8-19-13;4*1-4(6)3-5(2)7;;;;/h5-10H,1-4H3;2*4-10H,1-3H3;1-9H;4*4-7H,3H2,1-2H3;;;;
InChIKeyIDKIQVHXEXFAED-UHFFFAOYSA-N
XLogP16.93
TPSA292.65 Ų
H-Bond Donors8
H-Bond Acceptors19
Rotatable Bonds15
Heavy Atoms113
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002266.72
LogP ≤ 516.93
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1019

Analyze 2-(3,6-dimethyl-2-pyridinyl)-6-methoxyquinoline;2-(4,6-dimethyl-2-pyridinyl)-6-methoxyquinoline;tetrakis(iridium);6-methoxy-2-(3,5,6-trimethyl-2-pyridinyl)quinoline;tetrakis(pentane-2,4-diol);2-pyridin-2-yl-6-(trifluoromethyl)quinoline with MolForge

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Related Compounds

[2-[2-Carbazol-9-yl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;9-[2-(4-methoxy-2-pyridinyl)-4-methylbenzene-3-id-1-yl]carbazole;platinum(2+)
CID 58401472
2-[[1-Butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-8-[(3,5-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane;2-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-8-[(3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane;1-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperidin-4-ol
CID 157860416
2-(3,5-Dimethyl-2-pyridinyl)-6-methoxyquinoline;2-(3,6-dimethyl-2-pyridinyl)-6-methoxyquinoline;2-(4,6-dimethyl-2-pyridinyl)-6-methoxyquinoline;tetrakis(iridium);tetrakis(pentane-2,4-diol);2-pyridin-2-yl-6-(trifluoromethyl)quinoline
CID 157979266
2-[2,4-Difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;2-(4-fluoro-2-methylbenzene-6-id-1-yl)-3-methylpyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-4-methoxy-3-methylpyridine;2-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-3-methylpyridine;pentakis(iridium);2-(4-phenylbenzene-6-id-1-yl)quinoline
CID 158198908
2-(3,5-Dimethyl-2-pyridinyl)-6-methoxyquinoline;2-(3,6-dimethyl-2-pyridinyl)-6-methoxyquinoline;2-(4,6-dimethyl-2-pyridinyl)-6-methoxyquinoline;2-(5,6-dimethyl-2-pyridinyl)-6-methoxyquinoline;[2-(3,5-dimethyl-2-pyridinyl)quinolin-6-yl]-trimethylsilane;[2-(3,6-dimethyl-2-pyridinyl)quinolin-6-yl]-trimethylsilane;6-methoxy-2-(3-methyl-2-pyridinyl)quinoline;6-methoxy-2-(4-methyl-2-pyridinyl)quinoline;6-methoxy-2-(5-methyl-2-pyridinyl)quinoline;6-methoxy-2-(6-methyl-2-pyridinyl)quinoline;6-methoxy-2-pyridin-2-ylquinoline;2-pyridin-2-yl-6-(trifluoromethyl)quinoline
CID 158866553
Tetrakis(iridium);2-(3-methyl-2-pyridinyl)-6-(trifluoromethyl)quinoline;2-(4-methyl-2-pyridinyl)-6-(trifluoromethyl)quinoline;2-(5-methyl-2-pyridinyl)-6-(trifluoromethyl)quinoline;2-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)quinoline;tetrakis(pentane-2,4-diol)
CID 159374891
[1-Benzyl-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol;[1-[(3-bromophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol;[1-[(3-fluoro-5-methylphenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol;[1-[(2-fluorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)-5-(trifluoromethoxy)indol-2-yl]methanol
CID 159542441
2-(5,6-Dimethyl-2-pyridinyl)-6-(trifluoromethyl)quinoline;tetrakis(iridium);2-(3-methyl-2-pyridinyl)-6-(trifluoromethyl)quinoline;2-(4-methyl-2-pyridinyl)-6-(trifluoromethyl)quinoline;2-(5-methyl-2-pyridinyl)-6-(trifluoromethyl)quinoline;tetrakis(2,2,6,6-tetramethylheptane-3,5-diol)
CID 159622192
4-[(1-Benzyl-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl)methyl]-6-methylquinoline;4-[(1-benzyl-3-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl)methyl]quinoline;4-[(1-benzyl-5-ethyl-1-azoniabicyclo[2.2.2]octan-2-yl)methyl]quinoline;[1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;4-[[5-ethyl-1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-1-azoniabicyclo[2.2.2]octan-2-yl]methyl]quinoline;pentakis(yttrium)
CID 159840287
1-(2-Piperidin-1-ylethyl)-5-(trifluoromethoxy)indole;1-(2-pyrrolidin-1-ylethyl)-5-(trifluoromethoxy)indole;4-[2-[5-(trifluoromethoxy)indol-1-yl]ethyl]morpholine
CID 159858610
2-(3,5-Dimethyl-2-pyridinyl)-6-methoxyquinoline;2-(3,6-dimethyl-2-pyridinyl)-6-methoxyquinoline;tetrakis(iridium);2-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)quinoline;2-pyridin-2-yl-6-(trifluoromethyl)quinoline;tetrakis(2,2,6,6-tetramethylheptane-3,5-diol)
CID 160659218
2-(3,5-Dimethyl-2-pyridinyl)-6-(trifluoromethyl)quinoline;2-(3,6-dimethyl-2-pyridinyl)-6-(trifluoromethyl)quinoline;2-(4,6-dimethyl-2-pyridinyl)-6-(trifluoromethyl)quinoline;2-(5,6-dimethyl-2-pyridinyl)-6-(trifluoromethyl)quinoline;tetrakis(iridium);tetrakis(pentane-2,4-diol)
CID 162057703

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dimethyl-2-pyridinyl)-6-methoxyquinoline;2-(4,6-dimethyl-2-pyridinyl)-6-methoxyquinoline;tetrakis(iridium);6-methoxy-2-(3,5,6-trimethyl-2-pyridinyl)quinoline;tetrakis(pentane-2,4-diol);2-pyridin-2-yl-6-(trifluoromethyl)quinoline?
The IUPAC name of 2-(3,6-dimethyl-2-pyridinyl)-6-methoxyquinoline;2-(4,6-dimethyl-2-pyridinyl)-6-methoxyquinoline;tetrakis(iridium);6-methoxy-2-(3,5,6-trimethyl-2-pyridinyl)quinoline;tetrakis(pentane-2,4-diol);2-pyridin-2-yl-6-(trifluoromethyl)quinoline (CID 158994730) is 2-(3,6-dimethyl-2-pyridinyl)-6-methoxyquinoline;2-(4,6-dimethyl-2-pyridinyl)-6-methoxyquinoline;tetrakis(iridium);6-methoxy-2-(3,5,6-trimethyl-2-pyridinyl)quinoline;tetrakis(pentane-2,4-diol);2-pyridin-2-yl-6-(trifluoromethyl)quinoline.
What is the SMILES notation for 2-(3,6-dimethyl-2-pyridinyl)-6-methoxyquinoline;2-(4,6-dimethyl-2-pyridinyl)-6-methoxyquinoline;tetrakis(iridium);6-methoxy-2-(3,5,6-trimethyl-2-pyridinyl)quinoline;tetrakis(pentane-2,4-diol);2-pyridin-2-yl-6-(trifluoromethyl)quinoline?
The canonical SMILES for 2-(3,6-dimethyl-2-pyridinyl)-6-methoxyquinoline;2-(4,6-dimethyl-2-pyridinyl)-6-methoxyquinoline;tetrakis(iridium);6-methoxy-2-(3,5,6-trimethyl-2-pyridinyl)quinoline;tetrakis(pentane-2,4-diol);2-pyridin-2-yl-6-(trifluoromethyl)quinoline is CC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.COc1ccc2nc(-c3cc(C)cc(C)n3)ccc2c1.COc1ccc2nc(-c3nc(C)c(C)cc3C)ccc2c1.COc1ccc2nc(-c3nc(C)ccc3C)ccc2c1.FC(F)(F)c1ccc2nc(-c3ccccn3)ccc2c1.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 2-(3,6-dimethyl-2-pyridinyl)-6-methoxyquinoline;2-(4,6-dimethyl-2-pyridinyl)-6-methoxyquinoline;tetrakis(iridium);6-methoxy-2-(3,5,6-trimethyl-2-pyridinyl)quinoline;tetrakis(pentane-2,4-diol);2-pyridin-2-yl-6-(trifluoromethyl)quinoline?
The InChIKey is IDKIQVHXEXFAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O.2C17H16N2O.C15H9F3N2.4C5H12O2.4Ir/c1-11-9-12(2)18(19-13(11)3)17-7-5-14-10-15(21-4)6-8-16(14)20-17;1-11-8-12(2)18-17(9-11)16-6-4-13-10-14(20-3)5-7-15(13)19-16;1-11-4-5-12(2)18-17(11)16-8-6-13-10-14(20-3)7-9-15(13)19-16;16-15(17,18)11-5-7-12-10(9-11)4-6-14(20-12)13-3-1-2-8-19-13;4*1-4(6)3-5(2)7;;;;/h5-10H,1-4H3;2*4-10H,1-3H3;1-9H;4*4-7H,3H2,1-2H3;;;;.
What are the key properties of 2-(3,6-dimethyl-2-pyridinyl)-6-methoxyquinoline;2-(4,6-dimethyl-2-pyridinyl)-6-methoxyquinoline;tetrakis(iridium);6-methoxy-2-(3,5,6-trimethyl-2-pyridinyl)quinoline;tetrakis(pentane-2,4-diol);2-pyridin-2-yl-6-(trifluoromethyl)quinoline?
2-(3,6-dimethyl-2-pyridinyl)-6-methoxyquinoline;2-(4,6-dimethyl-2-pyridinyl)-6-methoxyquinoline;tetrakis(iridium);6-methoxy-2-(3,5,6-trimethyl-2-pyridinyl)quinoline;tetrakis(pentane-2,4-diol);2-pyridin-2-yl-6-(trifluoromethyl)quinoline has a molecular weight of 2266.72 g/mol, XLogP of 16.93, 15 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dimethyl-2-pyridinyl)-6-methoxyquinoline;2-(4,6-dimethyl-2-pyridinyl)-6-methoxyquinoline;tetrakis(iridium);6-methoxy-2-(3,5,6-trimethyl-2-pyridinyl)quinoline;tetrakis(pentane-2,4-diol);2-pyridin-2-yl-6-(trifluoromethyl)quinoline is sourced from PubChem (CID 158994730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).