gallium;chloroform;bis(chloro-tetrakis(pyrrolo[2,3-b]pyridin-1-yl)silanuide);bis(palladium(2+));pentachloride

C58H42Cl13GaN16Pd2Si2 — CID 139110637

About gallium;chloroform;bis(chloro-tetrakis(pyrrolo[2,3-b]pyridin-1-yl)silanuide);bis(palladium(2+));pentachloride

gallium;chloroform;bis(chloro-tetrakis(pyrrolo[2,3-b]pyridin-1-yl)silanuide);bis(palladium(2+));pentachloride (PubChem CID 139110637) has the molecular formula C58H42Cl13GaN16Pd2Si2 and a molecular weight of 1762.71 g/mol. Its IUPAC name is gallium;chloroform;bis(chloro-tetrakis(pyrrolo[2,3-b]pyridin-1-yl)silanuide);bis(palladium(2+));pentachloride.

Molecular Properties

• Compound Name: gallium;chloroform;bis(chloro-tetrakis(pyrrolo[2,3-b]pyridin-1-yl)silanuide);bis(palladium(2+));pentachloride
• PubChem CID: 139110637
• Molecular Formula: C58H42Cl13GaN16Pd2Si2
• Molecular Weight: 1762.71 g/mol
• Exact Mass: 1753.66
• IUPAC Name: gallium;chloroform;bis(chloro-tetrakis(pyrrolo[2,3-b]pyridin-1-yl)silanuide);bis(palladium(2+));pentachloride
• SMILES: ClC(Cl)Cl.ClC(Cl)Cl.Cl[Si-](n1ccc2cccnc21)(n1ccc2cccnc21)(n1ccc2cccnc21)n1ccc2cccnc21.Cl[Si-](n1ccc2cccnc21)(n1ccc2cccnc21)(n1ccc2cccnc21)n1ccc2cccnc21.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Ga+3].[Pd+2].[Pd+2]
• InChI: InChI=1S/2C28H20ClN8Si.2CHCl3.5ClH.Ga.2Pd/c2*29-38(34-17-9-21-5-1-13-30-25(21)34,35-18-10-22-6-2-14-31-26(22)35,36-19-11-23-7-3-15-32-27(23)36)37-20-12-24-8-4-16-33-28(24)37;2*2-1(3)4;;;;;;;;/h2*1-20H;2*1H;5*1H;;;/q2*-1;;;;;;;;+3;2*+2/p-5
• InChIKey: GWOPDIURJQTZIJ-UHFFFAOYSA-I
• XLogP: 0.01
• TPSA: 142.56 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 8
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1762.71
LogP ≤ 5	0.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of gallium;chloroform;bis(chloro-tetrakis(pyrrolo[2,3-b]pyridin-1-yl)silanuide);bis(palladium(2+));pentachloride?

The IUPAC name of gallium;chloroform;bis(chloro-tetrakis(pyrrolo[2,3-b]pyridin-1-yl)silanuide);bis(palladium(2+));pentachloride (CID 139110637) is gallium;chloroform;bis(chloro-tetrakis(pyrrolo[2,3-b]pyridin-1-yl)silanuide);bis(palladium(2+));pentachloride.

What is the SMILES notation for gallium;chloroform;bis(chloro-tetrakis(pyrrolo[2,3-b]pyridin-1-yl)silanuide);bis(palladium(2+));pentachloride?

The canonical SMILES for gallium;chloroform;bis(chloro-tetrakis(pyrrolo[2,3-b]pyridin-1-yl)silanuide);bis(palladium(2+));pentachloride is ClC(Cl)Cl.ClC(Cl)Cl.Cl[Si-](n1ccc2cccnc21)(n1ccc2cccnc21)(n1ccc2cccnc21)n1ccc2cccnc21.Cl[Si-](n1ccc2cccnc21)(n1ccc2cccnc21)(n1ccc2cccnc21)n1ccc2cccnc21.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Ga+3].[Pd+2].[Pd+2].

What is the InChIKey of gallium;chloroform;bis(chloro-tetrakis(pyrrolo[2,3-b]pyridin-1-yl)silanuide);bis(palladium(2+));pentachloride?

The InChIKey is GWOPDIURJQTZIJ-UHFFFAOYSA-I. The full InChI is InChI=1S/2C28H20ClN8Si.2CHCl3.5ClH.Ga.2Pd/c2*29-38(34-17-9-21-5-1-13-30-25(21)34,35-18-10-22-6-2-14-31-26(22)35,36-19-11-23-7-3-15-32-27(23)36)37-20-12-24-8-4-16-33-28(24)37;2*2-1(3)4;;;;;;;;/h2*1-20H;2*1H;5*1H;;;/q2*-1;;;;;;;;+3;2*+2/p-5.

What are the key properties of gallium;chloroform;bis(chloro-tetrakis(pyrrolo[2,3-b]pyridin-1-yl)silanuide);bis(palladium(2+));pentachloride?

gallium;chloroform;bis(chloro-tetrakis(pyrrolo[2,3-b]pyridin-1-yl)silanuide);bis(palladium(2+));pentachloride has a molecular weight of 1762.71 g/mol, XLogP of 0.01, 8 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for gallium;chloroform;bis(chloro-tetrakis(pyrrolo[2,3-b]pyridin-1-yl)silanuide);bis(palladium(2+));pentachloride is sourced from PubChem (CID 139110637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).