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

C28H30Cl2N2SiZr-2 — CID 162181422

IUPACbis(2,3-dimethyl-4H-indeno[2,1-b]pyrrol-4-ide);dimethylsilylidenezirconium(2+);dichloride
SMILESC[Si](C)=[Zr+2].Cc1cc2c3ccccc3[cH-]c2n1C.Cc1cc2c3ccccc3[cH-]c2n1C.[Cl-].[Cl-]
InChIInChI=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
InChIKeyVOVLPNDPSSTHPL-UHFFFAOYSA-L
MW584.78 g/mol
LogP1.51
Rot. Bonds

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 Namebis(2,3-dimethyl-4H-indeno[2,1-b]pyrrol-4-ide);dimethylsilylidenezirconium(2+);dichloride
PubChem CID162181422
Molecular FormulaC28H30Cl2N2SiZr-2
Molecular Weight584.78 g/mol
Exact Mass582.06
IUPAC Namebis(2,3-dimethyl-4H-indeno[2,1-b]pyrrol-4-ide);dimethylsilylidenezirconium(2+);dichloride
SMILESC[Si](C)=[Zr+2].Cc1cc2c3ccccc3[cH-]c2n1C.Cc1cc2c3ccccc3[cH-]c2n1C.[Cl-].[Cl-]
InChIInChI=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
InChIKeyVOVLPNDPSSTHPL-UHFFFAOYSA-L
XLogP1.51
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500584.78
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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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).