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)

C84H92F12Ir4N8O8 — CID 159374891

IUPACtetrakis(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)
SMILESCC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.Cc1ccc(-c2ccc3cc(C(F)(F)F)ccc3n2)nc1.Cc1cccc(-c2ccc3cc(C(F)(F)F)ccc3n2)n1.Cc1cccnc1-c1ccc2cc(C(F)(F)F)ccc2n1.Cc1ccnc(-c2ccc3cc(C(F)(F)F)ccc3n2)c1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/4C16H11F3N2.4C5H12O2.4Ir/c1-10-2-5-14(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;1-10-3-2-4-14(20-10)15-7-5-11-9-12(16(17,18)19)6-8-13(11)21-15;4*1-4(6)3-5(2)7;;;;/h4*2-9H,1H3;4*4-7H,3H2,1-2H3;;;;
InChIKeyNZYMOBIFFBUHTC-UHFFFAOYSA-N
MW2338.55 g/mol
LogP19.04
Rot. Bonds12

About 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)

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) (PubChem CID 159374891) has the molecular formula C84H92F12Ir4N8O8 and a molecular weight of 2338.55 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound Nametetrakis(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)
PubChem CID159374891
Molecular FormulaC84H92F12Ir4N8O8
Molecular Weight2338.55 g/mol
Exact Mass2340.54
IUPAC Nametetrakis(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)
SMILESCC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.Cc1ccc(-c2ccc3cc(C(F)(F)F)ccc3n2)nc1.Cc1cccc(-c2ccc3cc(C(F)(F)F)ccc3n2)n1.Cc1cccnc1-c1ccc2cc(C(F)(F)F)ccc2n1.Cc1ccnc(-c2ccc3cc(C(F)(F)F)ccc3n2)c1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/4C16H11F3N2.4C5H12O2.4Ir/c1-10-2-5-14(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;1-10-3-2-4-14(20-10)15-7-5-11-9-12(16(17,18)19)6-8-13(11)21-15;4*1-4(6)3-5(2)7;;;;/h4*2-9H,1H3;4*4-7H,3H2,1-2H3;;;;
InChIKeyNZYMOBIFFBUHTC-UHFFFAOYSA-N
XLogP19.04
TPSA264.96 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms116
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002338.55
LogP ≤ 519.04
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Analyze 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) with MolForge

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Related Compounds

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
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
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
2-(2,4-difluorobenzene-6-id-1-yl)-4-phenylquinoline;2-(2,4-difluorobenzene-6-id-1-yl)quinoline;decakis(4-hydroxypent-3-en-2-one);decakis(iridium);2-(3-methoxybenzene-6-id-1-yl)quinoline;2-(4-methoxybenzene-6-id-1-yl)quinoline;2-(2-methylbenzene-6-id-1-yl)-4-phenylquinoline;4-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-ylpyridine;2-[2-(trifluoromethyl)benzene-6-id-1-yl]quinoline;2-[3-(trifluoromethyl)benzene-6-id-1-yl]quinoline;2-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoline
CID 157894331
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-difluorobenzene-6-id-1-yl)-4-phenylquinoline;2-(2,4-difluorobenzene-6-id-1-yl)quinoline;decakis(4-hydroxypent-3-en-2-one);decakis(iridium);2-(3-methoxybenzene-6-id-1-yl)quinoline;2-(4-methoxybenzene-6-id-1-yl)quinoline;2-(2-methylbenzene-6-id-1-yl)-4-phenylquinoline;4-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-ylpyridine;2-[2-(trifluoromethyl)benzene-6-id-1-yl]quinoline;2-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoline;2-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]quinoline
CID 158010827
Tris(iridium);bis(4-[3-(4-isocyanophenyl)quinoxalin-2-yl]benzene-5-ide-1-carbonitrile);pentane-2,4-diol;bis(2-phenylpyridine);2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]quinoxaline
CID 158277247
1-Cyclohexylpentane-2,4-diol;tris(3,5-diphenyl-2-phenylpyrazine);tris(iridium);6-methylheptane-2,4-diol;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-triacontafluoroheptadecane-8,10-diol
CID 158593235
6-Cyclopentyl-3-deuterio-1-[3-methyl-5-(trideuteriomethyl)benzene-6-id-1-yl]isoquinoline;6-cyclopentyl-1-[3-methyl-5-(trideuteriomethyl)benzene-2-id-1-yl]isoquinoline;bis(3-deuterio-1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline);tris(3,7-diethyl-9,9,9-trifluoro-6-hydroxynon-5-en-4-one);2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;tris(iridium);2-phenylpyridine
CID 158604285
Pentakis(iridium);4-methyl-2-(2-phenylethenyl)quinoline;2-(2-naphthalen-1-ylethenyl)pyridine;pentakis(pentane-2,4-diol);2-(2-phenylethenyl)pyridine;2-(2-phenylethenyl)quinoline;2-(2-phenylethenyl)-5-(trifluoromethyl)pyridine
CID 158618877

Frequently Asked Questions

What is the IUPAC name of 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)?
The IUPAC name of 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) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) is CC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.Cc1ccc(-c2ccc3cc(C(F)(F)F)ccc3n2)nc1.Cc1cccc(-c2ccc3cc(C(F)(F)F)ccc3n2)n1.Cc1cccnc1-c1ccc2cc(C(F)(F)F)ccc2n1.Cc1ccnc(-c2ccc3cc(C(F)(F)F)ccc3n2)c1.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 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)?
The InChIKey is NZYMOBIFFBUHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/4C16H11F3N2.4C5H12O2.4Ir/c1-10-2-5-14(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;1-10-3-2-4-14(20-10)15-7-5-11-9-12(16(17,18)19)6-8-13(11)21-15;4*1-4(6)3-5(2)7;;;;/h4*2-9H,1H3;4*4-7H,3H2,1-2H3;;;;.
What are the key properties of 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)?
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) has a molecular weight of 2338.55 g/mol, XLogP of 19.04, 12 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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) is sourced from PubChem (CID 159374891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).