tetrakis(copper(1+));tetrakis(3,5-ditert-butylpyrazol-1-ide)

C44H76Cu4N8 — CID 11423212

IUPACtetrakis(copper(1+));tetrakis(3,5-ditert-butylpyrazol-1-ide)
SMILESCC(C)(C)c1cc(C(C)(C)C)[n-]n1.CC(C)(C)c1cc(C(C)(C)C)[n-]n1.CC(C)(C)c1cc(C(C)(C)C)[n-]n1.CC(C)(C)c1cc(C(C)(C)C)[n-]n1.[Cu+].[Cu+].[Cu+].[Cu+]
InChIInChI=1S/4C11H19N2.4Cu/c4*1-10(2,3)8-7-9(13-12-8)11(4,5)6;;;;/h4*7H,1-6H3;;;;/q4*-1;4*+1
InChIKeyKQTXPMNHJNINJK-UHFFFAOYSA-N
MW971.33 g/mol
LogP10.53
Rot. Bonds

About tetrakis(copper(1+));tetrakis(3,5-ditert-butylpyrazol-1-ide)

tetrakis(copper(1+));tetrakis(3,5-ditert-butylpyrazol-1-ide) (PubChem CID 11423212) has the molecular formula C44H76Cu4N8 and a molecular weight of 971.33 g/mol. Its IUPAC name is tetrakis(copper(1+));tetrakis(3,5-ditert-butylpyrazol-1-ide).

Molecular Properties

Compound Nametetrakis(copper(1+));tetrakis(3,5-ditert-butylpyrazol-1-ide)
PubChem CID11423212
Molecular FormulaC44H76Cu4N8
Molecular Weight971.33 g/mol
Exact Mass968.34
IUPAC Nametetrakis(copper(1+));tetrakis(3,5-ditert-butylpyrazol-1-ide)
SMILESCC(C)(C)c1cc(C(C)(C)C)[n-]n1.CC(C)(C)c1cc(C(C)(C)C)[n-]n1.CC(C)(C)c1cc(C(C)(C)C)[n-]n1.CC(C)(C)c1cc(C(C)(C)C)[n-]n1.[Cu+].[Cu+].[Cu+].[Cu+]
InChIInChI=1S/4C11H19N2.4Cu/c4*1-10(2,3)8-7-9(13-12-8)11(4,5)6;;;;/h4*7H,1-6H3;;;;/q4*-1;4*+1
InChIKeyKQTXPMNHJNINJK-UHFFFAOYSA-N
XLogP10.53
TPSA107.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500971.33
LogP ≤ 510.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

{[3-CF3,5-tBuPz]Ag}3
CID 139129024
Tris[3,5-di(propan-2-yl)pyrazol-1-yl]borane
CID 15436175
Hydrotris(3-t-butyl-5-isopropylpyrazol-1-yl)borate
CID 87432422
Tris[3,5-di(propan-2-yl)pyrazol-1-yl]boranuide
CID 12091570
Nickel;bis(tris[3,5-di(propan-2-yl)pyrazol-1-yl]boranuide);dihydrate
CID 12091576
Manganese;bis(tris[3,5-di(propan-2-yl)pyrazol-1-yl]boranuide);dihydrate
CID 15809428
Tris(3-tert-butyl-5-propan-2-ylpyrazol-1-yl)borane
CID 91446236
CID 129892864
CID 129892864
CID 135046835
CID 135046835
3,5-Di-tert-butylpyrazole
CID 139063576
Bis(barium(2+));tetrakis(bis(3,5-ditert-butylpyrazol-1-yl)boranuide)
CID 139099250
[3,5-(i-Pr)2PzCu]3
CID 139118751

Frequently Asked Questions

What is the IUPAC name of tetrakis(copper(1+));tetrakis(3,5-ditert-butylpyrazol-1-ide)?
The IUPAC name of tetrakis(copper(1+));tetrakis(3,5-ditert-butylpyrazol-1-ide) (CID 11423212) is tetrakis(copper(1+));tetrakis(3,5-ditert-butylpyrazol-1-ide).
What is the SMILES notation for tetrakis(copper(1+));tetrakis(3,5-ditert-butylpyrazol-1-ide)?
The canonical SMILES for tetrakis(copper(1+));tetrakis(3,5-ditert-butylpyrazol-1-ide) is CC(C)(C)c1cc(C(C)(C)C)[n-]n1.CC(C)(C)c1cc(C(C)(C)C)[n-]n1.CC(C)(C)c1cc(C(C)(C)C)[n-]n1.CC(C)(C)c1cc(C(C)(C)C)[n-]n1.[Cu+].[Cu+].[Cu+].[Cu+].
What is the InChIKey of tetrakis(copper(1+));tetrakis(3,5-ditert-butylpyrazol-1-ide)?
The InChIKey is KQTXPMNHJNINJK-UHFFFAOYSA-N. The full InChI is InChI=1S/4C11H19N2.4Cu/c4*1-10(2,3)8-7-9(13-12-8)11(4,5)6;;;;/h4*7H,1-6H3;;;;/q4*-1;4*+1.
What are the key properties of tetrakis(copper(1+));tetrakis(3,5-ditert-butylpyrazol-1-ide)?
tetrakis(copper(1+));tetrakis(3,5-ditert-butylpyrazol-1-ide) has a molecular weight of 971.33 g/mol, XLogP of 10.53, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(copper(1+));tetrakis(3,5-ditert-butylpyrazol-1-ide) is sourced from PubChem (CID 11423212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).