tetrakis(cerium(3+));dodecakis(3,5-dimethylpyrazol-1-ide)

C60H84Ce4N24 — CID 139172530

IUPACtetrakis(cerium(3+));dodecakis(3,5-dimethylpyrazol-1-ide)
SMILESCc1cc(C)[n-]n1.Cc1cc(C)[n-]n1.Cc1cc(C)[n-]n1.Cc1cc(C)[n-]n1.Cc1cc(C)[n-]n1.Cc1cc(C)[n-]n1.Cc1cc(C)[n-]n1.Cc1cc(C)[n-]n1.Cc1cc(C)[n-]n1.Cc1cc(C)[n-]n1.Cc1cc(C)[n-]n1.Cc1cc(C)[n-]n1.[Ce+3].[Ce+3].[Ce+3].[Ce+3]
InChIInChI=1S/12C5H7N2.4Ce/c12*1-4-3-5(2)7-6-4;;;;/h12*3H,1-2H3;;;;/q12*-1;4*+3
InChIKeyCYGSNXMJOZYHMW-UHFFFAOYSA-N
MW1701.96 g/mol
LogP7.87
Rot. Bonds

About tetrakis(cerium(3+));dodecakis(3,5-dimethylpyrazol-1-ide)

tetrakis(cerium(3+));dodecakis(3,5-dimethylpyrazol-1-ide) (PubChem CID 139172530) has the molecular formula C60H84Ce4N24 and a molecular weight of 1701.96 g/mol. Its IUPAC name is tetrakis(cerium(3+));dodecakis(3,5-dimethylpyrazol-1-ide).

Molecular Properties

Compound Nametetrakis(cerium(3+));dodecakis(3,5-dimethylpyrazol-1-ide)
PubChem CID139172530
Molecular FormulaC60H84Ce4N24
Molecular Weight1701.96 g/mol
Exact Mass1700.35
IUPAC Nametetrakis(cerium(3+));dodecakis(3,5-dimethylpyrazol-1-ide)
SMILESCc1cc(C)[n-]n1.Cc1cc(C)[n-]n1.Cc1cc(C)[n-]n1.Cc1cc(C)[n-]n1.Cc1cc(C)[n-]n1.Cc1cc(C)[n-]n1.Cc1cc(C)[n-]n1.Cc1cc(C)[n-]n1.Cc1cc(C)[n-]n1.Cc1cc(C)[n-]n1.Cc1cc(C)[n-]n1.Cc1cc(C)[n-]n1.[Ce+3].[Ce+3].[Ce+3].[Ce+3]
InChIInChI=1S/12C5H7N2.4Ce/c12*1-4-3-5(2)7-6-4;;;;/h12*3H,1-2H3;;;;/q12*-1;4*+3
InChIKeyCYGSNXMJOZYHMW-UHFFFAOYSA-N
XLogP7.87
TPSA323.88 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001701.96
LogP ≤ 57.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze tetrakis(cerium(3+));dodecakis(3,5-dimethylpyrazol-1-ide) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tetrakis(cerium(3+));dodecakis(3,5-dimethylpyrazol-1-ide)?
The IUPAC name of tetrakis(cerium(3+));dodecakis(3,5-dimethylpyrazol-1-ide) (CID 139172530) is tetrakis(cerium(3+));dodecakis(3,5-dimethylpyrazol-1-ide).
What is the SMILES notation for tetrakis(cerium(3+));dodecakis(3,5-dimethylpyrazol-1-ide)?
The canonical SMILES for tetrakis(cerium(3+));dodecakis(3,5-dimethylpyrazol-1-ide) is Cc1cc(C)[n-]n1.Cc1cc(C)[n-]n1.Cc1cc(C)[n-]n1.Cc1cc(C)[n-]n1.Cc1cc(C)[n-]n1.Cc1cc(C)[n-]n1.Cc1cc(C)[n-]n1.Cc1cc(C)[n-]n1.Cc1cc(C)[n-]n1.Cc1cc(C)[n-]n1.Cc1cc(C)[n-]n1.Cc1cc(C)[n-]n1.[Ce+3].[Ce+3].[Ce+3].[Ce+3].
What is the InChIKey of tetrakis(cerium(3+));dodecakis(3,5-dimethylpyrazol-1-ide)?
The InChIKey is CYGSNXMJOZYHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/12C5H7N2.4Ce/c12*1-4-3-5(2)7-6-4;;;;/h12*3H,1-2H3;;;;/q12*-1;4*+3.
What are the key properties of tetrakis(cerium(3+));dodecakis(3,5-dimethylpyrazol-1-ide)?
tetrakis(cerium(3+));dodecakis(3,5-dimethylpyrazol-1-ide) has a molecular weight of 1701.96 g/mol, XLogP of 7.87, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(cerium(3+));dodecakis(3,5-dimethylpyrazol-1-ide) is sourced from PubChem (CID 139172530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).