2,6-bis(3-phenylpyrazol-1-id-5-yl)pyridine;octakis(copper(1+));tris(2-(3-phenylpyrazol-1-id-5-yl)-6-(5-phenylpyrazol-1-id-3-yl)pyridine)

C92H60Cu8N20 — CID 139152142

IUPAC2,6-bis(3-phenylpyrazol-1-id-5-yl)pyridine;octakis(copper(1+));tris(2-(3-phenylpyrazol-1-id-5-yl)-6-(5-phenylpyrazol-1-id-3-yl)pyridine)
SMILES[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].c1ccc(-c2cc(-c3cccc(-c4cc(-c5ccccc5)[n-]n4)n3)[n-]n2)cc1.c1ccc(-c2cc(-c3cccc(-c4cc(-c5ccccc5)[n-]n4)n3)[n-]n2)cc1.c1ccc(-c2cc(-c3cccc(-c4cc(-c5ccccc5)[n-]n4)n3)[n-]n2)cc1.c1ccc(-c2cc(-c3cccc(-c4cc(-c5ccccc5)n[n-]4)n3)[n-]n2)cc1
InChIInChI=1S/4C23H15N5.8Cu/c4*1-3-8-16(9-4-1)20-14-22(27-25-20)18-12-7-13-19(24-18)23-15-21(26-28-23)17-10-5-2-6-11-17;;;;;;;;/h4*1-15H;;;;;;;;/q4*-2;8*+1
InChIKeyZSLUSXBMZOVBOC-UHFFFAOYSA-N
MW1954.00 g/mol
LogP17.80
Rot. Bonds16

About 2,6-bis(3-phenylpyrazol-1-id-5-yl)pyridine;octakis(copper(1+));tris(2-(3-phenylpyrazol-1-id-5-yl)-6-(5-phenylpyrazol-1-id-3-yl)pyridine)

2,6-bis(3-phenylpyrazol-1-id-5-yl)pyridine;octakis(copper(1+));tris(2-(3-phenylpyrazol-1-id-5-yl)-6-(5-phenylpyrazol-1-id-3-yl)pyridine) (PubChem CID 139152142) has the molecular formula C92H60Cu8N20 and a molecular weight of 1954.00 g/mol. Its IUPAC name is 2,6-bis(3-phenylpyrazol-1-id-5-yl)pyridine;octakis(copper(1+));tris(2-(3-phenylpyrazol-1-id-5-yl)-6-(5-phenylpyrazol-1-id-3-yl)pyridine).

Molecular Properties

Compound Name2,6-bis(3-phenylpyrazol-1-id-5-yl)pyridine;octakis(copper(1+));tris(2-(3-phenylpyrazol-1-id-5-yl)-6-(5-phenylpyrazol-1-id-3-yl)pyridine)
PubChem CID139152142
Molecular FormulaC92H60Cu8N20
Molecular Weight1954.00 g/mol
Exact Mass1947.97
IUPAC Name2,6-bis(3-phenylpyrazol-1-id-5-yl)pyridine;octakis(copper(1+));tris(2-(3-phenylpyrazol-1-id-5-yl)-6-(5-phenylpyrazol-1-id-3-yl)pyridine)
SMILES[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].c1ccc(-c2cc(-c3cccc(-c4cc(-c5ccccc5)[n-]n4)n3)[n-]n2)cc1.c1ccc(-c2cc(-c3cccc(-c4cc(-c5ccccc5)[n-]n4)n3)[n-]n2)cc1.c1ccc(-c2cc(-c3cccc(-c4cc(-c5ccccc5)[n-]n4)n3)[n-]n2)cc1.c1ccc(-c2cc(-c3cccc(-c4cc(-c5ccccc5)n[n-]4)n3)[n-]n2)cc1
InChIInChI=1S/4C23H15N5.8Cu/c4*1-3-8-16(9-4-1)20-14-22(27-25-20)18-12-7-13-19(24-18)23-15-21(26-28-23)17-10-5-2-6-11-17;;;;;;;;/h4*1-15H;;;;;;;;/q4*-2;8*+1
InChIKeyZSLUSXBMZOVBOC-UHFFFAOYSA-N
XLogP17.80
TPSA267.48 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001954.00
LogP ≤ 517.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Related Compounds

{[3,5-(CF3)2Pz]Cu(collidine)}2
CID 139130954
2-[Bis[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]methyl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(platinum(2+))
CID 58756107
2-(3,5-Dimethylphenyl)-1,4,5,5,9-pentamethyl-3-phenyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium;2-(3,5-dimethylphenyl)-1,4,5,5,9-pentamethyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium;1,4,5,5,9-pentamethyl-2-[3-methyl-5-(trideuteriomethyl)phenyl]-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium;1,4,5,5,9-pentamethyl-2-phenyl-4-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinolin-1-ium
CID 157833609
2-[2-Benzyl-3-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]-6-phenylpyridine;2-[1-benzyl-5-(trifluoromethyl)pyrazol-3-yl]-6-phenylpyridine;2-[2-ethyl-3-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]-6-phenylpyridine;2-[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]-6-phenylpyridine;tetrakis(iridium(3+));2-[2-methyl-3-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]-6-phenylpyridine;2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-6-phenylpyridine;2-phenyl-6-[2-phenyl-3-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]pyridine;2-phenyl-6-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine
CID 159165830
pentakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);pentakis(copper(1+));tris(N-[4-(3-isoquinolin-3-ylphenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline)
CID 159936804
2-(5-Ethyl-4-methylpyrazol-2-id-3-yl)-6-[2-[6-(5-ethyl-4-methylpyrazol-2-id-3-yl)-2-pyridinyl]phenyl]pyridine;2-(5-methylpyrazol-2-id-3-yl)-6-[2-[6-(5-methylpyrazol-2-id-3-yl)-2-pyridinyl]phenyl]pyridine;2-(5-methylpyrazol-2-id-3-yl)-6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]phenyl]pyridine;tetrakis(platinum(2+));3-[6-[2-[6-(4,5,6,7-tetrahydroindazol-2-id-3-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-4,5,6,7-tetrahydroindazol-2-ide
CID 159944813
dicopper;heptakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);pentakis(copper(1+));tris(N-[4-(3-isoquinolin-3-ylphenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline)
CID 160274635
tetrakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis(copper(1+));tetrakis(iridium);tetrakis(1-phenylisoquinoline);bis(2-phenylpyrazine);bis(3-pyridin-2-yl-4H-pyridin-4-ide)
CID 160899865
Heptakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);heptakis(copper(1+));tris(1-(4-isoquinolin-1-ylphenyl)isoquinoline)
CID 161233824
2-(5-Ethyl-4-methylpyrazol-2-id-3-yl)-6-[3-[6-(5-ethyl-4-methylpyrazol-2-id-3-yl)-2-pyridinyl]phenyl]pyridine;2-(5-methylpyrazol-2-id-3-yl)-6-[3-[6-(5-methylpyrazol-2-id-3-yl)-2-pyridinyl]phenyl]pyridine;2-(5-methylpyrazol-2-id-3-yl)-6-[3-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]phenyl]pyridine;tetrakis(platinum(2+));3-[6-[3-[6-(4,5,6,7-tetrahydroindazol-2-id-3-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-4,5,6,7-tetrahydroindazol-2-ide
CID 161275745
Pentakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);pentakis(copper(1+));bis(iridium);iridium(3+);tetrakis(1-phenylisoquinoline);tris(2-phenylpyrazine)
CID 161406409
Heptakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);heptakis(copper(1+));tris(2-(4-quinolin-2-ylphenyl)quinoline)
CID 161949557

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(3-phenylpyrazol-1-id-5-yl)pyridine;octakis(copper(1+));tris(2-(3-phenylpyrazol-1-id-5-yl)-6-(5-phenylpyrazol-1-id-3-yl)pyridine)?
The IUPAC name of 2,6-bis(3-phenylpyrazol-1-id-5-yl)pyridine;octakis(copper(1+));tris(2-(3-phenylpyrazol-1-id-5-yl)-6-(5-phenylpyrazol-1-id-3-yl)pyridine) (CID 139152142) is 2,6-bis(3-phenylpyrazol-1-id-5-yl)pyridine;octakis(copper(1+));tris(2-(3-phenylpyrazol-1-id-5-yl)-6-(5-phenylpyrazol-1-id-3-yl)pyridine).
What is the SMILES notation for 2,6-bis(3-phenylpyrazol-1-id-5-yl)pyridine;octakis(copper(1+));tris(2-(3-phenylpyrazol-1-id-5-yl)-6-(5-phenylpyrazol-1-id-3-yl)pyridine)?
The canonical SMILES for 2,6-bis(3-phenylpyrazol-1-id-5-yl)pyridine;octakis(copper(1+));tris(2-(3-phenylpyrazol-1-id-5-yl)-6-(5-phenylpyrazol-1-id-3-yl)pyridine) is [Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].c1ccc(-c2cc(-c3cccc(-c4cc(-c5ccccc5)[n-]n4)n3)[n-]n2)cc1.c1ccc(-c2cc(-c3cccc(-c4cc(-c5ccccc5)[n-]n4)n3)[n-]n2)cc1.c1ccc(-c2cc(-c3cccc(-c4cc(-c5ccccc5)[n-]n4)n3)[n-]n2)cc1.c1ccc(-c2cc(-c3cccc(-c4cc(-c5ccccc5)n[n-]4)n3)[n-]n2)cc1.
What is the InChIKey of 2,6-bis(3-phenylpyrazol-1-id-5-yl)pyridine;octakis(copper(1+));tris(2-(3-phenylpyrazol-1-id-5-yl)-6-(5-phenylpyrazol-1-id-3-yl)pyridine)?
The InChIKey is ZSLUSXBMZOVBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/4C23H15N5.8Cu/c4*1-3-8-16(9-4-1)20-14-22(27-25-20)18-12-7-13-19(24-18)23-15-21(26-28-23)17-10-5-2-6-11-17;;;;;;;;/h4*1-15H;;;;;;;;/q4*-2;8*+1.
What are the key properties of 2,6-bis(3-phenylpyrazol-1-id-5-yl)pyridine;octakis(copper(1+));tris(2-(3-phenylpyrazol-1-id-5-yl)-6-(5-phenylpyrazol-1-id-3-yl)pyridine)?
2,6-bis(3-phenylpyrazol-1-id-5-yl)pyridine;octakis(copper(1+));tris(2-(3-phenylpyrazol-1-id-5-yl)-6-(5-phenylpyrazol-1-id-3-yl)pyridine) has a molecular weight of 1954.00 g/mol, XLogP of 17.80, 16 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(3-phenylpyrazol-1-id-5-yl)pyridine;octakis(copper(1+));tris(2-(3-phenylpyrazol-1-id-5-yl)-6-(5-phenylpyrazol-1-id-3-yl)pyridine) is sourced from PubChem (CID 139152142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).