nonakis(3,5-diphenylpyrazol-1-ide);tris(neodymium(3+))

C135H99N18Nd3 — CID 139155635

IUPACnonakis(3,5-diphenylpyrazol-1-ide);tris(neodymium(3+))
SMILES[Nd+3].[Nd+3].[Nd+3].c1ccc(-c2cc(-c3ccccc3)[n-]n2)cc1.c1ccc(-c2cc(-c3ccccc3)[n-]n2)cc1.c1ccc(-c2cc(-c3ccccc3)[n-]n2)cc1.c1ccc(-c2cc(-c3ccccc3)[n-]n2)cc1.c1ccc(-c2cc(-c3ccccc3)[n-]n2)cc1.c1ccc(-c2cc(-c3ccccc3)[n-]n2)cc1.c1ccc(-c2cc(-c3ccccc3)[n-]n2)cc1.c1ccc(-c2cc(-c3ccccc3)[n-]n2)cc1.c1ccc(-c2cc(-c3ccccc3)[n-]n2)cc1
InChIInChI=1S/9C15H11N2.3Nd/c9*1-3-7-12(8-4-1)14-11-15(17-16-14)13-9-5-2-6-10-13;;;/h9*1-11H;;;/q9*-1;3*+3
InChIKeyIQLGXPZDZLHICE-UHFFFAOYSA-N
MW2406.12 g/mol
LogP30.36
Rot. Bonds18

About nonakis(3,5-diphenylpyrazol-1-ide);tris(neodymium(3+))

nonakis(3,5-diphenylpyrazol-1-ide);tris(neodymium(3+)) (PubChem CID 139155635) has the molecular formula C135H99N18Nd3 and a molecular weight of 2406.12 g/mol. Its IUPAC name is nonakis(3,5-diphenylpyrazol-1-ide);tris(neodymium(3+)).

Molecular Properties

Compound Namenonakis(3,5-diphenylpyrazol-1-ide);tris(neodymium(3+))
PubChem CID139155635
Molecular FormulaC135H99N18Nd3
Molecular Weight2406.12 g/mol
Exact Mass2397.55
IUPAC Namenonakis(3,5-diphenylpyrazol-1-ide);tris(neodymium(3+))
SMILES[Nd+3].[Nd+3].[Nd+3].c1ccc(-c2cc(-c3ccccc3)[n-]n2)cc1.c1ccc(-c2cc(-c3ccccc3)[n-]n2)cc1.c1ccc(-c2cc(-c3ccccc3)[n-]n2)cc1.c1ccc(-c2cc(-c3ccccc3)[n-]n2)cc1.c1ccc(-c2cc(-c3ccccc3)[n-]n2)cc1.c1ccc(-c2cc(-c3ccccc3)[n-]n2)cc1.c1ccc(-c2cc(-c3ccccc3)[n-]n2)cc1.c1ccc(-c2cc(-c3ccccc3)[n-]n2)cc1.c1ccc(-c2cc(-c3ccccc3)[n-]n2)cc1
InChIInChI=1S/9C15H11N2.3Nd/c9*1-3-7-12(8-4-1)14-11-15(17-16-14)13-9-5-2-6-10-13;;;/h9*1-11H;;;/q9*-1;3*+3
InChIKeyIQLGXPZDZLHICE-UHFFFAOYSA-N
XLogP30.36
TPSA242.91 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms156
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002406.12
LogP ≤ 530.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

Nonakis(3,5-diphenylpyrazol-1-ide);tris(lanthanum(3+))
CID 139155634
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);toluene
CID 139172528
Bis(cerium(4+));octakis(3,5-dimethylpyrazol-1-ide);toluene
CID 139171263

Frequently Asked Questions

What is the IUPAC name of nonakis(3,5-diphenylpyrazol-1-ide);tris(neodymium(3+))?
The IUPAC name of nonakis(3,5-diphenylpyrazol-1-ide);tris(neodymium(3+)) (CID 139155635) is nonakis(3,5-diphenylpyrazol-1-ide);tris(neodymium(3+)).
What is the SMILES notation for nonakis(3,5-diphenylpyrazol-1-ide);tris(neodymium(3+))?
The canonical SMILES for nonakis(3,5-diphenylpyrazol-1-ide);tris(neodymium(3+)) is [Nd+3].[Nd+3].[Nd+3].c1ccc(-c2cc(-c3ccccc3)[n-]n2)cc1.c1ccc(-c2cc(-c3ccccc3)[n-]n2)cc1.c1ccc(-c2cc(-c3ccccc3)[n-]n2)cc1.c1ccc(-c2cc(-c3ccccc3)[n-]n2)cc1.c1ccc(-c2cc(-c3ccccc3)[n-]n2)cc1.c1ccc(-c2cc(-c3ccccc3)[n-]n2)cc1.c1ccc(-c2cc(-c3ccccc3)[n-]n2)cc1.c1ccc(-c2cc(-c3ccccc3)[n-]n2)cc1.c1ccc(-c2cc(-c3ccccc3)[n-]n2)cc1.
What is the InChIKey of nonakis(3,5-diphenylpyrazol-1-ide);tris(neodymium(3+))?
The InChIKey is IQLGXPZDZLHICE-UHFFFAOYSA-N. The full InChI is InChI=1S/9C15H11N2.3Nd/c9*1-3-7-12(8-4-1)14-11-15(17-16-14)13-9-5-2-6-10-13;;;/h9*1-11H;;;/q9*-1;3*+3.
What are the key properties of nonakis(3,5-diphenylpyrazol-1-ide);tris(neodymium(3+))?
nonakis(3,5-diphenylpyrazol-1-ide);tris(neodymium(3+)) has a molecular weight of 2406.12 g/mol, XLogP of 30.36, 18 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for nonakis(3,5-diphenylpyrazol-1-ide);tris(neodymium(3+)) is sourced from PubChem (CID 139155635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).