Hexakis(3,5-diphenylpyrazol-1-ide);bis(lutetium(3+))

C₉₀H₆₆Lu₂N₁₂ — CID 139155637

About Hexakis(3,5-diphenylpyrazol-1-ide);bis(lutetium(3+))

Hexakis(3,5-diphenylpyrazol-1-ide);bis(lutetium(3+)) (PubChem CID 139155637) has the molecular formula C₉₀H₆₆Lu₂N₁₂ and a molecular weight of 1665.54 g/mol. Its IUPAC name is hexakis(3,5-diphenylpyrazol-1-ide);bis(lutetium(3+)).

Molecular Properties

• Compound Name: Hexakis(3,5-diphenylpyrazol-1-ide);bis(lutetium(3+))
• PubChem CID: 139155637
• Molecular Formula: C₉₀H₆₆Lu₂N₁₂
• Molecular Weight: 1665.54 g/mol
• Exact Mass: 1664.43
• IUPAC Name: hexakis(3,5-diphenylpyrazol-1-ide);bis(lutetium(3+))
• SMILES: [Lu+3].[Lu+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
• InChI: InChI=1S/6C15H11N2.2Lu/c6*1-3-7-12(8-4-1)14-11-15(17-16-14)13-9-5-2-6-10-13;;/h6*1-11H;;/q6*-1;2*+3
• InChIKey: RDAOSXUZILASST-UHFFFAOYSA-N
• XLogP: 20.24
• TPSA: 161.94 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1665.54
LogP ≤ 5	20.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of Hexakis(3,5-diphenylpyrazol-1-ide);bis(lutetium(3+))?

The IUPAC name of Hexakis(3,5-diphenylpyrazol-1-ide);bis(lutetium(3+)) (CID 139155637) is hexakis(3,5-diphenylpyrazol-1-ide);bis(lutetium(3+)).

What is the SMILES notation for Hexakis(3,5-diphenylpyrazol-1-ide);bis(lutetium(3+))?

The canonical SMILES for Hexakis(3,5-diphenylpyrazol-1-ide);bis(lutetium(3+)) is [Lu+3].[Lu+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.

What is the InChIKey of Hexakis(3,5-diphenylpyrazol-1-ide);bis(lutetium(3+))?

The InChIKey is RDAOSXUZILASST-UHFFFAOYSA-N. The full InChI is InChI=1S/6C15H11N2.2Lu/c6*1-3-7-12(8-4-1)14-11-15(17-16-14)13-9-5-2-6-10-13;;/h6*1-11H;;/q6*-1;2*+3.

What are the key properties of Hexakis(3,5-diphenylpyrazol-1-ide);bis(lutetium(3+))?

Hexakis(3,5-diphenylpyrazol-1-ide);bis(lutetium(3+)) has a molecular weight of 1665.54 g/mol, XLogP of 20.24, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for Hexakis(3,5-diphenylpyrazol-1-ide);bis(lutetium(3+)) is sourced from PubChem (CID 139155637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 139155637 — identifiers, structure, computed properties (public domain)

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