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)

C109H148F6Ir4N8O10 — CID 160659218

IUPAC2-(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)
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.COc1ccc2nc(-c3nc(C)ccc3C)ccc2c1.COc1ccc2nc(-c3ncc(C)cc3C)ccc2c1.Cc1cccc(-c2ccc3cc(C(F)(F)F)ccc3n2)n1.FC(F)(F)c1ccc2nc(-c3ccccn3)ccc2c1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/2C17H16N2O.C16H11F3N2.C15H9F3N2.4C11H24O2.4Ir/c1-11-8-12(2)17(18-10-11)16-6-4-13-9-14(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;1-10-3-2-4-14(20-10)15-7-5-11-9-12(16(17,18)19)6-8-13(11)21-15;16-15(17,18)11-5-7-12-10(9-11)4-6-14(20-12)13-3-1-2-8-19-13;4*1-10(2,3)8(12)7-9(13)11(4,5)6;;;;/h2*4-10H,1-3H3;2-9H,1H3;1-9H;4*8-9,12-13H,7H2,1-6H3;;;;
InChIKeyKVAWTFZGXKNKQD-UHFFFAOYSA-N
MW2613.28 g/mol
LogP25.54
Rot. Bonds14

About 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)

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) (PubChem CID 160659218) has the molecular formula C109H148F6Ir4N8O10 and a molecular weight of 2613.28 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound Name2-(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)
PubChem CID160659218
Molecular FormulaC109H148F6Ir4N8O10
Molecular Weight2613.28 g/mol
Exact Mass2614.97
IUPAC Name2-(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)
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.COc1ccc2nc(-c3nc(C)ccc3C)ccc2c1.COc1ccc2nc(-c3ncc(C)cc3C)ccc2c1.Cc1cccc(-c2ccc3cc(C(F)(F)F)ccc3n2)n1.FC(F)(F)c1ccc2nc(-c3ccccn3)ccc2c1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/2C17H16N2O.C16H11F3N2.C15H9F3N2.4C11H24O2.4Ir/c1-11-8-12(2)17(18-10-11)16-6-4-13-9-14(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;1-10-3-2-4-14(20-10)15-7-5-11-9-12(16(17,18)19)6-8-13(11)21-15;16-15(17,18)11-5-7-12-10(9-11)4-6-14(20-12)13-3-1-2-8-19-13;4*1-10(2,3)8(12)7-9(13)11(4,5)6;;;;/h2*4-10H,1-3H3;2-9H,1H3;1-9H;4*8-9,12-13H,7H2,1-6H3;;;;
InChIKeyKVAWTFZGXKNKQD-UHFFFAOYSA-N
XLogP25.54
TPSA283.42 Ų
H-Bond Donors8
H-Bond Acceptors18
Rotatable Bonds14
Heavy Atoms137
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002613.28
LogP ≤ 525.54
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1018

Analyze 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) with MolForge

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Related Compounds

1-[3-[3,5-Bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]-4-cyclohexylisoquinoline;bis(1-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]isoquinoline);1-[3-[3,5-bis[4-(trifluoromethyl)phenyl]phenyl]benzene-6-id-1-yl]-4-cyclohexylisoquinoline;1-[3-[3,5-bis[4-(trifluoromethyl)phenyl]phenyl]benzene-6-id-1-yl]isoquinoline;1-[4-[3-(4-tert-butylphenyl)-5-(4-propan-2-ylphenyl)phenoxy]benzene-6-id-1-yl]isoquinoline;hexakis(iridium);pentane-2,4-diol
CID 157059438
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-(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
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
CID 159172518
CID 159172518
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
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-[[1-(3-Aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperidin-4-ol;1-butyl-5-(piperidin-1-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]indole;[1-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-4-[(3-methylphenyl)methyl]piperidin-4-yl]methanol;4-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]thiomorpholine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methyl]indol-1-yl]propan-1-amine
CID 159968485
[1-[[1-(3-Aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-4-[(3-methylphenyl)methyl]piperidin-4-yl]methanol;1-butyl-5-(piperidin-1-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]indole;1-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperidin-4-ol;4-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]thiomorpholine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methyl]indol-1-yl]propan-1-amine
CID 160616273
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;methane
CID 161890444

Frequently Asked Questions

What is the IUPAC name of 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)?
The IUPAC name of 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) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) 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.COc1ccc2nc(-c3nc(C)ccc3C)ccc2c1.COc1ccc2nc(-c3ncc(C)cc3C)ccc2c1.Cc1cccc(-c2ccc3cc(C(F)(F)F)ccc3n2)n1.FC(F)(F)c1ccc2nc(-c3ccccn3)ccc2c1.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 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)?
The InChIKey is KVAWTFZGXKNKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H16N2O.C16H11F3N2.C15H9F3N2.4C11H24O2.4Ir/c1-11-8-12(2)17(18-10-11)16-6-4-13-9-14(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;1-10-3-2-4-14(20-10)15-7-5-11-9-12(16(17,18)19)6-8-13(11)21-15;16-15(17,18)11-5-7-12-10(9-11)4-6-14(20-12)13-3-1-2-8-19-13;4*1-10(2,3)8(12)7-9(13)11(4,5)6;;;;/h2*4-10H,1-3H3;2-9H,1H3;1-9H;4*8-9,12-13H,7H2,1-6H3;;;;.
What are the key properties of 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)?
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) has a molecular weight of 2613.28 g/mol, XLogP of 25.54, 14 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 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) is sourced from PubChem (CID 160659218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).