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

C67H92Ce4N24 — CID 139172528

IUPACtetrakis(cerium(3+));dodecakis(3,5-dimethylpyrazol-1-ide);toluene
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.Cc1ccccc1.[Ce+3].[Ce+3].[Ce+3].[Ce+3]
InChIInChI=1S/C7H8.12C5H7N2.4Ce/c1-7-5-3-2-4-6-7;12*1-4-3-5(2)7-6-4;;;;/h2-6H,1H3;12*3H,1-2H3;;;;/q;12*-1;4*+3
InChIKeyLQFVTKMRNNTWCD-UHFFFAOYSA-N
MW1794.10 g/mol
LogP9.86
Rot. Bonds

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

tetrakis(cerium(3+));dodecakis(3,5-dimethylpyrazol-1-ide);toluene (PubChem CID 139172528) has the molecular formula C67H92Ce4N24 and a molecular weight of 1794.10 g/mol. Its IUPAC name is tetrakis(cerium(3+));dodecakis(3,5-dimethylpyrazol-1-ide);toluene.

Molecular Properties

Compound Nametetrakis(cerium(3+));dodecakis(3,5-dimethylpyrazol-1-ide);toluene
PubChem CID139172528
Molecular FormulaC67H92Ce4N24
Molecular Weight1794.10 g/mol
Exact Mass1792.42
IUPAC Nametetrakis(cerium(3+));dodecakis(3,5-dimethylpyrazol-1-ide);toluene
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.Cc1ccccc1.[Ce+3].[Ce+3].[Ce+3].[Ce+3]
InChIInChI=1S/C7H8.12C5H7N2.4Ce/c1-7-5-3-2-4-6-7;12*1-4-3-5(2)7-6-4;;;;/h2-6H,1H3;12*3H,1-2H3;;;;/q;12*-1;4*+3
InChIKeyLQFVTKMRNNTWCD-UHFFFAOYSA-N
XLogP9.86
TPSA323.88 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001794.10
LogP ≤ 59.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Related Compounds

4-Tert-butylbenzeneselenolate;samarium(3+);bis(tris(3,5-dimethylpyrazol-1-yl)boranuide)
CID 139134119
Nonakis(3,5-diphenylpyrazol-1-ide);tris(lanthanum(3+))
CID 139155634
Nonakis(3,5-diphenylpyrazol-1-ide);tris(neodymium(3+))
CID 139155635
Hexakis(3,5-diphenylpyrazol-1-ide);bis(erbium(3+))
CID 139155636
Hexakis(3,5-diphenylpyrazolato)dilutetium(III)
CID 139155637
Bis(cerium(3+));hexakis(3,5-ditert-butylpyrazol-1-ide);toluene
CID 139171269
Tetrakis(cerium(3+));dodecakis(3,5-dimethylpyrazol-1-ide)
CID 139172530
Cerium(3+);3,5-dimethylpyrazol-1-ide;toluene;bis(tris(3,5-dimethylpyrazol-1-yl)boranuide)
CID 168305815
Bis(cerium(4+));octakis(3,5-dimethylpyrazol-1-ide);toluene
CID 139171263
Tetrakis(cerium(3+));dodecakis(3,5-dimethylpyrazol-1-ide);hexane
CID 139172529

Frequently Asked Questions

What is the IUPAC name of tetrakis(cerium(3+));dodecakis(3,5-dimethylpyrazol-1-ide);toluene?
The IUPAC name of tetrakis(cerium(3+));dodecakis(3,5-dimethylpyrazol-1-ide);toluene (CID 139172528) is tetrakis(cerium(3+));dodecakis(3,5-dimethylpyrazol-1-ide);toluene.
What is the SMILES notation for tetrakis(cerium(3+));dodecakis(3,5-dimethylpyrazol-1-ide);toluene?
The canonical SMILES for tetrakis(cerium(3+));dodecakis(3,5-dimethylpyrazol-1-ide);toluene 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.Cc1ccccc1.[Ce+3].[Ce+3].[Ce+3].[Ce+3].
What is the InChIKey of tetrakis(cerium(3+));dodecakis(3,5-dimethylpyrazol-1-ide);toluene?
The InChIKey is LQFVTKMRNNTWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.12C5H7N2.4Ce/c1-7-5-3-2-4-6-7;12*1-4-3-5(2)7-6-4;;;;/h2-6H,1H3;12*3H,1-2H3;;;;/q;12*-1;4*+3.
What are the key properties of tetrakis(cerium(3+));dodecakis(3,5-dimethylpyrazol-1-ide);toluene?
tetrakis(cerium(3+));dodecakis(3,5-dimethylpyrazol-1-ide);toluene has a molecular weight of 1794.10 g/mol, XLogP of 9.86, 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);toluene is sourced from PubChem (CID 139172528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).