bis(2,6-bis(5-methylpyrazol-1-id-3-yl)pyridine);2,6-bis(5-methylpyrazol-2-id-3-yl)pyridine;octakis(copper(1+));2-(5-methylpyrazol-1-id-3-yl)-6-(5-methylpyrazol-2-id-3-yl)pyridine;propan-2-one

C55H50Cu8N20O — CID 139152141

IUPACbis(2,6-bis(5-methylpyrazol-1-id-3-yl)pyridine);2,6-bis(5-methylpyrazol-2-id-3-yl)pyridine;octakis(copper(1+));2-(5-methylpyrazol-1-id-3-yl)-6-(5-methylpyrazol-2-id-3-yl)pyridine;propan-2-one
SMILESCC(C)=O.Cc1cc(-c2cccc(-c3cc(C)[n-]n3)n2)[n-]n1.Cc1cc(-c2cccc(-c3cc(C)[n-]n3)n2)n[n-]1.Cc1cc(-c2cccc(-c3cc(C)[n-]n3)n2)n[n-]1.Cc1cc(-c2cccc(-c3cc(C)n[n-]3)n2)[n-]n1.[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[Cu+]
InChIInChI=1S/4C13H11N5.C3H6O.8Cu/c4*1-8-6-12(17-15-8)10-4-3-5-11(14-10)13-7-9(2)16-18-13;1-3(2)4;;;;;;;;/h4*3-7H,1-2H3;1-2H3;;;;;;;;/q4*-2;;8*+1
InChIKeyAHWDYNZTMMXWBX-UHFFFAOYSA-N
MW1515.51 g/mol
LogP7.52
Rot. Bonds8

About bis(2,6-bis(5-methylpyrazol-1-id-3-yl)pyridine);2,6-bis(5-methylpyrazol-2-id-3-yl)pyridine;octakis(copper(1+));2-(5-methylpyrazol-1-id-3-yl)-6-(5-methylpyrazol-2-id-3-yl)pyridine;propan-2-one

bis(2,6-bis(5-methylpyrazol-1-id-3-yl)pyridine);2,6-bis(5-methylpyrazol-2-id-3-yl)pyridine;octakis(copper(1+));2-(5-methylpyrazol-1-id-3-yl)-6-(5-methylpyrazol-2-id-3-yl)pyridine;propan-2-one (PubChem CID 139152141) has the molecular formula C55H50Cu8N20O and a molecular weight of 1515.51 g/mol. Its IUPAC name is bis(2,6-bis(5-methylpyrazol-1-id-3-yl)pyridine);2,6-bis(5-methylpyrazol-2-id-3-yl)pyridine;octakis(copper(1+));2-(5-methylpyrazol-1-id-3-yl)-6-(5-methylpyrazol-2-id-3-yl)pyridine;propan-2-one.

Molecular Properties

Compound Namebis(2,6-bis(5-methylpyrazol-1-id-3-yl)pyridine);2,6-bis(5-methylpyrazol-2-id-3-yl)pyridine;octakis(copper(1+));2-(5-methylpyrazol-1-id-3-yl)-6-(5-methylpyrazol-2-id-3-yl)pyridine;propan-2-one
PubChem CID139152141
Molecular FormulaC55H50Cu8N20O
Molecular Weight1515.51 g/mol
Exact Mass1509.88
IUPAC Namebis(2,6-bis(5-methylpyrazol-1-id-3-yl)pyridine);2,6-bis(5-methylpyrazol-2-id-3-yl)pyridine;octakis(copper(1+));2-(5-methylpyrazol-1-id-3-yl)-6-(5-methylpyrazol-2-id-3-yl)pyridine;propan-2-one
SMILESCC(C)=O.Cc1cc(-c2cccc(-c3cc(C)[n-]n3)n2)[n-]n1.Cc1cc(-c2cccc(-c3cc(C)[n-]n3)n2)n[n-]1.Cc1cc(-c2cccc(-c3cc(C)[n-]n3)n2)n[n-]1.Cc1cc(-c2cccc(-c3cc(C)n[n-]3)n2)[n-]n1.[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[Cu+]
InChIInChI=1S/4C13H11N5.C3H6O.8Cu/c4*1-8-6-12(17-15-8)10-4-3-5-11(14-10)13-7-9(2)16-18-13;1-3(2)4;;;;;;;;/h4*3-7H,1-2H3;1-2H3;;;;;;;;/q4*-2;;8*+1
InChIKeyAHWDYNZTMMXWBX-UHFFFAOYSA-N
XLogP7.52
TPSA284.55 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001515.51
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

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Related Compounds

hexasilver;tetrakis(2-(5-methylpyrazol-2-id-3-yl)-6-(5-methyl-1H-pyrazol-3-yl)pyridine);propan-2-one;dinitrate
CID 139150447
iridium;2-(5-methylpyrazol-2-id-3-yl)pyridine
CID 20807299
iridium(3+);tris(2-(5-methylpyrazol-2-id-3-yl)pyridine)
CID 159822553
2-(5-methylpyrazol-2-id-3-yl)pyridine;platinum;bis(yttrium)
CID 148900201
zinc;carbanide;2-(5-methylpyrazol-2-id-3-yl)pyridine
CID 156628337
2-(5-methylpyrazol-2-id-3-yl)pyridine;pyridine-2-carboxylic acid;zinc
CID 58858981
tris(gold(1+));bis(3-methyl-5-phenylpyrazol-1-ide);5-methyl-3-phenylpyrazol-1-ide;oxolane
CID 139136608
acetonitrile;bis(2,6-dipyridin-2-ylpyridine);ethoxyethane;propan-2-one;pyridine;2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine;bis(ruthenium(2+));trihexafluorophosphate
CID 139136940
3,5-dimethylpyrazol-1-ide;trioxochromium
CID 88827968
bis(2,6-dipyridin-2-ylpyridine);2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine;bis(ruthenium(2+));trihexafluorophosphate;dihydrate
CID 11251912
benzene;ethane;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium
CID 158549694
iridium(3+);2-(5-methylpyrazol-2-id-3-yl)-6-[3-[[6-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy-2-pyridinyl]oxy]benzene-2-id-1-yl]oxypyridine
CID 140597831

Frequently Asked Questions

What is the IUPAC name of bis(2,6-bis(5-methylpyrazol-1-id-3-yl)pyridine);2,6-bis(5-methylpyrazol-2-id-3-yl)pyridine;octakis(copper(1+));2-(5-methylpyrazol-1-id-3-yl)-6-(5-methylpyrazol-2-id-3-yl)pyridine;propan-2-one?
The IUPAC name of bis(2,6-bis(5-methylpyrazol-1-id-3-yl)pyridine);2,6-bis(5-methylpyrazol-2-id-3-yl)pyridine;octakis(copper(1+));2-(5-methylpyrazol-1-id-3-yl)-6-(5-methylpyrazol-2-id-3-yl)pyridine;propan-2-one (CID 139152141) is bis(2,6-bis(5-methylpyrazol-1-id-3-yl)pyridine);2,6-bis(5-methylpyrazol-2-id-3-yl)pyridine;octakis(copper(1+));2-(5-methylpyrazol-1-id-3-yl)-6-(5-methylpyrazol-2-id-3-yl)pyridine;propan-2-one.
What is the SMILES notation for bis(2,6-bis(5-methylpyrazol-1-id-3-yl)pyridine);2,6-bis(5-methylpyrazol-2-id-3-yl)pyridine;octakis(copper(1+));2-(5-methylpyrazol-1-id-3-yl)-6-(5-methylpyrazol-2-id-3-yl)pyridine;propan-2-one?
The canonical SMILES for bis(2,6-bis(5-methylpyrazol-1-id-3-yl)pyridine);2,6-bis(5-methylpyrazol-2-id-3-yl)pyridine;octakis(copper(1+));2-(5-methylpyrazol-1-id-3-yl)-6-(5-methylpyrazol-2-id-3-yl)pyridine;propan-2-one is CC(C)=O.Cc1cc(-c2cccc(-c3cc(C)[n-]n3)n2)[n-]n1.Cc1cc(-c2cccc(-c3cc(C)[n-]n3)n2)n[n-]1.Cc1cc(-c2cccc(-c3cc(C)[n-]n3)n2)n[n-]1.Cc1cc(-c2cccc(-c3cc(C)n[n-]3)n2)[n-]n1.[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].
What is the InChIKey of bis(2,6-bis(5-methylpyrazol-1-id-3-yl)pyridine);2,6-bis(5-methylpyrazol-2-id-3-yl)pyridine;octakis(copper(1+));2-(5-methylpyrazol-1-id-3-yl)-6-(5-methylpyrazol-2-id-3-yl)pyridine;propan-2-one?
The InChIKey is AHWDYNZTMMXWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/4C13H11N5.C3H6O.8Cu/c4*1-8-6-12(17-15-8)10-4-3-5-11(14-10)13-7-9(2)16-18-13;1-3(2)4;;;;;;;;/h4*3-7H,1-2H3;1-2H3;;;;;;;;/q4*-2;;8*+1.
What are the key properties of bis(2,6-bis(5-methylpyrazol-1-id-3-yl)pyridine);2,6-bis(5-methylpyrazol-2-id-3-yl)pyridine;octakis(copper(1+));2-(5-methylpyrazol-1-id-3-yl)-6-(5-methylpyrazol-2-id-3-yl)pyridine;propan-2-one?
bis(2,6-bis(5-methylpyrazol-1-id-3-yl)pyridine);2,6-bis(5-methylpyrazol-2-id-3-yl)pyridine;octakis(copper(1+));2-(5-methylpyrazol-1-id-3-yl)-6-(5-methylpyrazol-2-id-3-yl)pyridine;propan-2-one has a molecular weight of 1515.51 g/mol, XLogP of 7.52, 8 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,6-bis(5-methylpyrazol-1-id-3-yl)pyridine);2,6-bis(5-methylpyrazol-2-id-3-yl)pyridine;octakis(copper(1+));2-(5-methylpyrazol-1-id-3-yl)-6-(5-methylpyrazol-2-id-3-yl)pyridine;propan-2-one is sourced from PubChem (CID 139152141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).