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)

C109H142F12Ir4N8O8 — CID 159622192

IUPAC2-(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)
SMILESCC(C)(C)C(O)CC(O)C(C)(C)C.CC(C)(C)C(O)CC(O)C(C)(C)C.CC(C)(C)C(O)CC(O)C(C)(C)C.CC(C)(C)C(O)CC(O)C(C)(C)C.Cc1ccc(-c2ccc3cc(C(F)(F)F)ccc3n2)nc1.Cc1ccc(-c2ccc3cc(C(F)(F)F)ccc3n2)nc1C.Cc1cccnc1-c1ccc2cc(C(F)(F)F)ccc2n1.Cc1ccnc(-c2ccc3cc(C(F)(F)F)ccc3n2)c1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C17H13F3N2.3C16H11F3N2.4C11H24O2.4Ir/c1-10-3-6-15(21-11(10)2)16-7-4-12-9-13(17(18,19)20)5-8-14(12)22-16;1-10-2-5-14(20-9-10)15-6-3-11-8-12(16(17,18)19)4-7-13(11)21-15;1-10-6-7-20-15(8-10)14-4-2-11-9-12(16(17,18)19)3-5-13(11)21-14;1-10-3-2-8-20-15(10)14-6-4-11-9-12(16(17,18)19)5-7-13(11)21-14;4*1-10(2,3)8(12)7-9(13)11(4,5)6;;;;/h3-9H,1-2H3;3*2-9H,1H3;4*8-9,12-13H,7H2,1-6H3;;;;
InChIKeyDRMSKSIWJQXJBH-UHFFFAOYSA-N
MW2689.23 g/mol
LogP27.56
Rot. Bonds12

About 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)

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) (PubChem CID 159622192) has the molecular formula C109H142F12Ir4N8O8 and a molecular weight of 2689.23 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound Name2-(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)
PubChem CID159622192
Molecular FormulaC109H142F12Ir4N8O8
Molecular Weight2689.23 g/mol
Exact Mass2690.93
IUPAC Name2-(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)
SMILESCC(C)(C)C(O)CC(O)C(C)(C)C.CC(C)(C)C(O)CC(O)C(C)(C)C.CC(C)(C)C(O)CC(O)C(C)(C)C.CC(C)(C)C(O)CC(O)C(C)(C)C.Cc1ccc(-c2ccc3cc(C(F)(F)F)ccc3n2)nc1.Cc1ccc(-c2ccc3cc(C(F)(F)F)ccc3n2)nc1C.Cc1cccnc1-c1ccc2cc(C(F)(F)F)ccc2n1.Cc1ccnc(-c2ccc3cc(C(F)(F)F)ccc3n2)c1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C17H13F3N2.3C16H11F3N2.4C11H24O2.4Ir/c1-10-3-6-15(21-11(10)2)16-7-4-12-9-13(17(18,19)20)5-8-14(12)22-16;1-10-2-5-14(20-9-10)15-6-3-11-8-12(16(17,18)19)4-7-13(11)21-15;1-10-6-7-20-15(8-10)14-4-2-11-9-12(16(17,18)19)3-5-13(11)21-14;1-10-3-2-8-20-15(10)14-6-4-11-9-12(16(17,18)19)5-7-13(11)21-14;4*1-10(2,3)8(12)7-9(13)11(4,5)6;;;;/h3-9H,1-2H3;3*2-9H,1H3;4*8-9,12-13H,7H2,1-6H3;;;;
InChIKeyDRMSKSIWJQXJBH-UHFFFAOYSA-N
XLogP27.56
TPSA264.96 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms141
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002689.23
LogP ≤ 527.56
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Analyze 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) with MolForge

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Related Compounds

Tetrakis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);hexane;methanolate;bis(rhodium(3+));bis(tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide)
CID 139141108
iridium;3-(5-methyl-2-pyridinyl)-9-phenyl-4H-carbazol-4-ide;pentane-2,4-diol;9-phenyl-3-[5-(trifluoromethyl)-2-pyridinyl]-4H-carbazol-4-ide
CID 58299274
iridium;pentane-2,4-diol;9-phenyl-4H-carbazol-4-ide;9-phenyl-3-[5-(trifluoromethyl)-2-pyridinyl]-4H-carbazol-4-ide;3-(trifluoromethyl)pyridine
CID 59449566
iridium;pentane-2,4-diol;bis(9-phenyl-3-[5-(trifluoromethyl)-2-pyridinyl]-4H-carbazol-4-ide)
CID 59449600
2,6-Dimethylheptane-3,5-diol;6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-3,5-diol;tris(iridium);tris(5-(4-methylphenyl)-3-phenyl-2-phenylpyrazine);1,1,1-trifluoro-5,5-dimethylhexane-2,4-diol
CID 157131995
3-(3,5-Dimethylbenzene-6-id-1-yl)-1-fluorobenzo[f]quinoline;3-(3,5-dimethylbenzene-6-id-1-yl)-2-fluorobenzo[f]quinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-5-fluorobenzo[h]isoquinoline;1-(3,5-dimethylbenzene-6-id-1-yl)-6-fluorobenzo[h]isoquinoline;3-(3,5-dimethylbenzene-6-id-1-yl)-2-(trifluoromethyl)benzo[f]quinoline;pentakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);pentakis(iridium)
CID 157182075
2-(Cyclohexen-1-yl)-7-fluoroquinoline;2-(cyclohexen-1-yl)-3-(trifluoromethyl)quinoline;6-fluoro-2-(3-methylcyclohexen-1-yl)quinoline;7-fluoro-2-(3-methylcyclohexen-1-yl)quinoline;pentakis(iridium);2-(3-methylcyclohexen-1-yl)-3-(trifluoromethyl)quinoline;pentakis(2,2,6,6-tetramethylheptane-3,5-diol)
CID 157247494
2,6-Dimethylheptane-3,5-diol;tetrakis(2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)-5-methylpyrazine);tetrakis(iridium);bis(2,2,6,6-tetramethylheptane-3,5-diol);1,1,1-trifluoro-5,5-dimethylhexane-2,4-diol
CID 157318217
5,5-Dimethylhexane-2,4-diol;6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-3,5-diol;heptane-3,5-diol;pentakis(iridium);pentakis(2-phenyl-3-phenylpyrazine);2,2,6,6-tetramethylheptane-3,5-diol;1,1,1-trifluoro-5,5-dimethylhexane-2,4-diol
CID 157753995
Tetrakis(2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)-5-methylpyrazine);tetrakis(iridium);bis(2,2,6,6-tetramethylheptane-3,5-diol);1,1,1-trifluoro-5,5-dimethylhexane-2,4-diol;2,2,6-trimethylheptane-3,5-diol
CID 157903211
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
10H-benzo[h]quinolin-10-ide;3-[9,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline;4-hydroxypent-3-en-2-ylideneoxidanium;tetrakis(iridium);bis(3-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline);2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;3-phenylisoquinoline;2-phenylpyridine
CID 158135256

Frequently Asked Questions

What is the IUPAC name of 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)?
The IUPAC name of 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) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) is CC(C)(C)C(O)CC(O)C(C)(C)C.CC(C)(C)C(O)CC(O)C(C)(C)C.CC(C)(C)C(O)CC(O)C(C)(C)C.CC(C)(C)C(O)CC(O)C(C)(C)C.Cc1ccc(-c2ccc3cc(C(F)(F)F)ccc3n2)nc1.Cc1ccc(-c2ccc3cc(C(F)(F)F)ccc3n2)nc1C.Cc1cccnc1-c1ccc2cc(C(F)(F)F)ccc2n1.Cc1ccnc(-c2ccc3cc(C(F)(F)F)ccc3n2)c1.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 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)?
The InChIKey is DRMSKSIWJQXJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2.3C16H11F3N2.4C11H24O2.4Ir/c1-10-3-6-15(21-11(10)2)16-7-4-12-9-13(17(18,19)20)5-8-14(12)22-16;1-10-2-5-14(20-9-10)15-6-3-11-8-12(16(17,18)19)4-7-13(11)21-15;1-10-6-7-20-15(8-10)14-4-2-11-9-12(16(17,18)19)3-5-13(11)21-14;1-10-3-2-8-20-15(10)14-6-4-11-9-12(16(17,18)19)5-7-13(11)21-14;4*1-10(2,3)8(12)7-9(13)11(4,5)6;;;;/h3-9H,1-2H3;3*2-9H,1H3;4*8-9,12-13H,7H2,1-6H3;;;;.
What are the key properties of 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)?
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) has a molecular weight of 2689.23 g/mol, XLogP of 27.56, 12 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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) is sourced from PubChem (CID 159622192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).