Nonakis(3,5-diphenylpyrazol-1-ide);tris(lanthanum(3+))

C₁₃₅H₉₉La₃N₁₈ — CID 139155634

About Nonakis(3,5-diphenylpyrazol-1-ide);tris(lanthanum(3+))

Nonakis(3,5-diphenylpyrazol-1-ide);tris(lanthanum(3+)) (PubChem CID 139155634) has the molecular formula C₁₃₅H₉₉La₃N₁₈ and a molecular weight of 2390.12 g/mol. Its IUPAC name is nonakis(3,5-diphenylpyrazol-1-ide);tris(lanthanum(3+)).

Molecular Properties

• Compound Name: Nonakis(3,5-diphenylpyrazol-1-ide);tris(lanthanum(3+))
• PubChem CID: 139155634
• Molecular Formula: C₁₃₅H₉₉La₃N₁₈
• Molecular Weight: 2390.12 g/mol
• Exact Mass: 2388.55
• IUPAC Name: nonakis(3,5-diphenylpyrazol-1-ide);tris(lanthanum(3+))
• SMILES: [La+3].[La+3].[La+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
• InChI: InChI=1S/9C15H11N2.3La/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
• InChIKey: LIZFKOYCAMNEON-UHFFFAOYSA-N
• XLogP: 30.36
• TPSA: 242.91 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 18
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2390.12
LogP ≤ 5	30.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of Nonakis(3,5-diphenylpyrazol-1-ide);tris(lanthanum(3+))?

The IUPAC name of Nonakis(3,5-diphenylpyrazol-1-ide);tris(lanthanum(3+)) (CID 139155634) is nonakis(3,5-diphenylpyrazol-1-ide);tris(lanthanum(3+)).

What is the SMILES notation for Nonakis(3,5-diphenylpyrazol-1-ide);tris(lanthanum(3+))?

The canonical SMILES for Nonakis(3,5-diphenylpyrazol-1-ide);tris(lanthanum(3+)) is [La+3].[La+3].[La+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(lanthanum(3+))?

The InChIKey is LIZFKOYCAMNEON-UHFFFAOYSA-N. The full InChI is InChI=1S/9C15H11N2.3La/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(lanthanum(3+))?

Nonakis(3,5-diphenylpyrazol-1-ide);tris(lanthanum(3+)) has a molecular weight of 2390.12 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(lanthanum(3+)) is sourced from PubChem (CID 139155634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 139155634 — identifiers, structure, computed properties (public domain)

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