bis(2,3-dimethyl-4H-indeno[2,1-b]pyrrol-4-ide);dimethylsilylidenezirconium(2+);dichloride

C28H30Cl2N2SiZr-2 — CID 162181422

About bis(2,3-dimethyl-4H-indeno[2,1-b]pyrrol-4-ide);dimethylsilylidenezirconium(2+);dichloride

bis(2,3-dimethyl-4H-indeno[2,1-b]pyrrol-4-ide);dimethylsilylidenezirconium(2+);dichloride (PubChem CID 162181422) has the molecular formula C28H30Cl2N2SiZr-2 and a molecular weight of 584.78 g/mol. Its IUPAC name is bis(2,3-dimethyl-4H-indeno[2,1-b]pyrrol-4-ide);dimethylsilylidenezirconium(2+);dichloride.

Molecular Properties

• Compound Name: bis(2,3-dimethyl-4H-indeno[2,1-b]pyrrol-4-ide);dimethylsilylidenezirconium(2+);dichloride
• PubChem CID: 162181422
• Molecular Formula: C28H30Cl2N2SiZr-2
• Molecular Weight: 584.78 g/mol
• Exact Mass: 582.06
• IUPAC Name: bis(2,3-dimethyl-4H-indeno[2,1-b]pyrrol-4-ide);dimethylsilylidenezirconium(2+);dichloride
• SMILES: C[Si](C)=[Zr+2].Cc1cc2c3ccccc3[cH-]c2n1C.Cc1cc2c3ccccc3[cH-]c2n1C.[Cl-].[Cl-]
• InChI: InChI=1S/2C13H12N.C2H6Si.2ClH.Zr/c2*1-9-7-12-11-6-4-3-5-10(11)8-13(12)14(9)2;1-3-2;;;/h2*3-8H,1-2H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
• InChIKey: VOVLPNDPSSTHPL-UHFFFAOYSA-L
• XLogP: 1.51
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	584.78
LogP ≤ 5	1.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(2,3-dimethyl-4H-indeno[2,1-b]pyrrol-4-ide);dimethylsilylidenezirconium(2+);dichloride?

The IUPAC name of bis(2,3-dimethyl-4H-indeno[2,1-b]pyrrol-4-ide);dimethylsilylidenezirconium(2+);dichloride (CID 162181422) is bis(2,3-dimethyl-4H-indeno[2,1-b]pyrrol-4-ide);dimethylsilylidenezirconium(2+);dichloride.

What is the SMILES notation for bis(2,3-dimethyl-4H-indeno[2,1-b]pyrrol-4-ide);dimethylsilylidenezirconium(2+);dichloride?

The canonical SMILES for bis(2,3-dimethyl-4H-indeno[2,1-b]pyrrol-4-ide);dimethylsilylidenezirconium(2+);dichloride is C[Si](C)=[Zr+2].Cc1cc2c3ccccc3[cH-]c2n1C.Cc1cc2c3ccccc3[cH-]c2n1C.[Cl-].[Cl-].

What is the InChIKey of bis(2,3-dimethyl-4H-indeno[2,1-b]pyrrol-4-ide);dimethylsilylidenezirconium(2+);dichloride?

The InChIKey is VOVLPNDPSSTHPL-UHFFFAOYSA-L. The full InChI is InChI=1S/2C13H12N.C2H6Si.2ClH.Zr/c2*1-9-7-12-11-6-4-3-5-10(11)8-13(12)14(9)2;1-3-2;;;/h2*3-8H,1-2H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.

What are the key properties of bis(2,3-dimethyl-4H-indeno[2,1-b]pyrrol-4-ide);dimethylsilylidenezirconium(2+);dichloride?

bis(2,3-dimethyl-4H-indeno[2,1-b]pyrrol-4-ide);dimethylsilylidenezirconium(2+);dichloride has a molecular weight of 584.78 g/mol, XLogP of 1.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2,3-dimethyl-4H-indeno[2,1-b]pyrrol-4-ide);dimethylsilylidenezirconium(2+);dichloride is sourced from PubChem (CID 162181422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).