Tris(4-chloro-3,5-diphenylpyrazol-1-ide);dichloromethane;tris(gold(1+))

C₄₆H₃₂Au₃Cl₅N₆ — CID 139198411

About Tris(4-chloro-3,5-diphenylpyrazol-1-ide);dichloromethane;tris(gold(1+))

Tris(4-chloro-3,5-diphenylpyrazol-1-ide);dichloromethane;tris(gold(1+)) (PubChem CID 139198411) has the molecular formula C₄₆H₃₂Au₃Cl₅N₆ and a molecular weight of 1436.97 g/mol. Its IUPAC name is tris(4-chloro-3,5-diphenylpyrazol-1-ide);dichloromethane;tris(gold(1+)).

Molecular Properties

• Compound Name: Tris(4-chloro-3,5-diphenylpyrazol-1-ide);dichloromethane;tris(gold(1+))
• PubChem CID: 139198411
• Molecular Formula: C₄₆H₃₂Au₃Cl₅N₆
• Molecular Weight: 1436.97 g/mol
• Exact Mass: 1434.01
• IUPAC Name: tris(4-chloro-3,5-diphenylpyrazol-1-ide);dichloromethane;tris(gold(1+))
• SMILES: ClCCl.Clc1c(-c2ccccc2)n[n-]c1-c1ccccc1.Clc1c(-c2ccccc2)n[n-]c1-c1ccccc1.Clc1c(-c2ccccc2)n[n-]c1-c1ccccc1.[Au+].[Au+].[Au+]
• InChI: InChI=1S/3C15H10ClN2.CH2Cl2.3Au/c3*16-13-14(11-7-3-1-4-8-11)17-18-15(13)12-9-5-2-6-10-12;2-1-3;;;/h3*1-10H;1H2;;;/q3*-1;;3*+1
• InChIKey: ZMCXOYVNXVILHF-UHFFFAOYSA-N
• XLogP: 13.49
• TPSA: 80.97 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1436.97
LogP ≤ 5	13.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Tris(4-chloro-3,5-diphenylpyrazol-1-ide);dichloromethane;tris(gold(1+))?

The IUPAC name of Tris(4-chloro-3,5-diphenylpyrazol-1-ide);dichloromethane;tris(gold(1+)) (CID 139198411) is tris(4-chloro-3,5-diphenylpyrazol-1-ide);dichloromethane;tris(gold(1+)).

What is the SMILES notation for Tris(4-chloro-3,5-diphenylpyrazol-1-ide);dichloromethane;tris(gold(1+))?

The canonical SMILES for Tris(4-chloro-3,5-diphenylpyrazol-1-ide);dichloromethane;tris(gold(1+)) is ClCCl.Clc1c(-c2ccccc2)n[n-]c1-c1ccccc1.Clc1c(-c2ccccc2)n[n-]c1-c1ccccc1.Clc1c(-c2ccccc2)n[n-]c1-c1ccccc1.[Au+].[Au+].[Au+].

What is the InChIKey of Tris(4-chloro-3,5-diphenylpyrazol-1-ide);dichloromethane;tris(gold(1+))?

The InChIKey is ZMCXOYVNXVILHF-UHFFFAOYSA-N. The full InChI is InChI=1S/3C15H10ClN2.CH2Cl2.3Au/c3*16-13-14(11-7-3-1-4-8-11)17-18-15(13)12-9-5-2-6-10-12;2-1-3;;;/h3*1-10H;1H2;;;/q3*-1;;3*+1.

What are the key properties of Tris(4-chloro-3,5-diphenylpyrazol-1-ide);dichloromethane;tris(gold(1+))?

Tris(4-chloro-3,5-diphenylpyrazol-1-ide);dichloromethane;tris(gold(1+)) has a molecular weight of 1436.97 g/mol, XLogP of 13.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Tris(4-chloro-3,5-diphenylpyrazol-1-ide);dichloromethane;tris(gold(1+)) is sourced from PubChem (CID 139198411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 139198411 — identifiers, structure, computed properties (public domain)

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