Hexasilver;chloroform;hexakis(4-methyl-3,5-diphenylpyrazol-1-ide)

C₉₇H₇₉Ag₆Cl₃N₁₂ — CID 139198410

About Hexasilver;chloroform;hexakis(4-methyl-3,5-diphenylpyrazol-1-ide)

Hexasilver;chloroform;hexakis(4-methyl-3,5-diphenylpyrazol-1-ide) (PubChem CID 139198410) has the molecular formula C₉₇H₇₉Ag₆Cl₃N₁₂ and a molecular weight of 2166.35 g/mol. Its IUPAC name is hexasilver;chloroform;hexakis(4-methyl-3,5-diphenylpyrazol-1-ide).

Molecular Properties

• Compound Name: Hexasilver;chloroform;hexakis(4-methyl-3,5-diphenylpyrazol-1-ide)
• PubChem CID: 139198410
• Molecular Formula: C₉₇H₇₉Ag₆Cl₃N₁₂
• Molecular Weight: 2166.35 g/mol
• Exact Mass: 2157.99
• IUPAC Name: hexasilver;chloroform;hexakis(4-methyl-3,5-diphenylpyrazol-1-ide)
• SMILES: Cc1c(-c2ccccc2)n[n-]c1-c1ccccc1.Cc1c(-c2ccccc2)n[n-]c1-c1ccccc1.Cc1c(-c2ccccc2)n[n-]c1-c1ccccc1.Cc1c(-c2ccccc2)n[n-]c1-c1ccccc1.Cc1c(-c2ccccc2)n[n-]c1-c1ccccc1.Cc1c(-c2ccccc2)n[n-]c1-c1ccccc1.ClC(Cl)Cl.[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+]
• InChI: InChI=1S/6C16H13N2.CHCl3.6Ag/c6*1-12-15(13-8-4-2-5-9-13)17-18-16(12)14-10-6-3-7-11-14;2-1(3)4;;;;;;/h6*2-11H,1H3;1H;;;;;;/q6*-1;;6*+1
• InChIKey: SWQJGOOTISOZBK-UHFFFAOYSA-N
• XLogP: 24.06
• TPSA: 161.94 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2166.35
LogP ≤ 5	24.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Hexasilver;chloroform;hexakis(4-methyl-3,5-diphenylpyrazol-1-ide)?

The IUPAC name of Hexasilver;chloroform;hexakis(4-methyl-3,5-diphenylpyrazol-1-ide) (CID 139198410) is hexasilver;chloroform;hexakis(4-methyl-3,5-diphenylpyrazol-1-ide).

What is the SMILES notation for Hexasilver;chloroform;hexakis(4-methyl-3,5-diphenylpyrazol-1-ide)?

The canonical SMILES for Hexasilver;chloroform;hexakis(4-methyl-3,5-diphenylpyrazol-1-ide) is Cc1c(-c2ccccc2)n[n-]c1-c1ccccc1.Cc1c(-c2ccccc2)n[n-]c1-c1ccccc1.Cc1c(-c2ccccc2)n[n-]c1-c1ccccc1.Cc1c(-c2ccccc2)n[n-]c1-c1ccccc1.Cc1c(-c2ccccc2)n[n-]c1-c1ccccc1.Cc1c(-c2ccccc2)n[n-]c1-c1ccccc1.ClC(Cl)Cl.[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].

What is the InChIKey of Hexasilver;chloroform;hexakis(4-methyl-3,5-diphenylpyrazol-1-ide)?

The InChIKey is SWQJGOOTISOZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/6C16H13N2.CHCl3.6Ag/c6*1-12-15(13-8-4-2-5-9-13)17-18-16(12)14-10-6-3-7-11-14;2-1(3)4;;;;;;/h6*2-11H,1H3;1H;;;;;;/q6*-1;;6*+1.

What are the key properties of Hexasilver;chloroform;hexakis(4-methyl-3,5-diphenylpyrazol-1-ide)?

Hexasilver;chloroform;hexakis(4-methyl-3,5-diphenylpyrazol-1-ide) has a molecular weight of 2166.35 g/mol, XLogP of 24.06, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for Hexasilver;chloroform;hexakis(4-methyl-3,5-diphenylpyrazol-1-ide) is sourced from PubChem (CID 139198410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 139198410 — identifiers, structure, computed properties (public domain)

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