dimethylsilylidenezirconium(2+);bis(2-(4-phenyl-1H-inden-1-id-2-yl)thiophene);dichloride

C40H32Cl2S2SiZr-2 — CID 172832484

IUPACdimethylsilylidenezirconium(2+);bis(2-(4-phenyl-1H-inden-1-id-2-yl)thiophene);dichloride
SMILESC[Si](C)=[Zr+2].[Cl-].[Cl-].c1ccc(-c2cccc3[cH-]c(-c4cccs4)cc23)cc1.c1ccc(-c2cccc3[cH-]c(-c4cccs4)cc23)cc1
InChIInChI=1S/2C19H13S.C2H6Si.2ClH.Zr/c2*1-2-6-14(7-3-1)17-9-4-8-15-12-16(13-18(15)17)19-10-5-11-20-19;1-3-2;;;/h2*1-13H;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyPTPFVDQBBGERQD-UHFFFAOYSA-L
MW767.05 g/mol
LogP6.70
Rot. Bonds4

About dimethylsilylidenezirconium(2+);bis(2-(4-phenyl-1H-inden-1-id-2-yl)thiophene);dichloride

dimethylsilylidenezirconium(2+);bis(2-(4-phenyl-1H-inden-1-id-2-yl)thiophene);dichloride (PubChem CID 172832484) has the molecular formula C40H32Cl2S2SiZr-2 and a molecular weight of 767.05 g/mol. Its IUPAC name is dimethylsilylidenezirconium(2+);bis(2-(4-phenyl-1H-inden-1-id-2-yl)thiophene);dichloride.

Molecular Properties

Compound Namedimethylsilylidenezirconium(2+);bis(2-(4-phenyl-1H-inden-1-id-2-yl)thiophene);dichloride
PubChem CID172832484
Molecular FormulaC40H32Cl2S2SiZr-2
Molecular Weight767.05 g/mol
Exact Mass764.01
IUPAC Namedimethylsilylidenezirconium(2+);bis(2-(4-phenyl-1H-inden-1-id-2-yl)thiophene);dichloride
SMILESC[Si](C)=[Zr+2].[Cl-].[Cl-].c1ccc(-c2cccc3[cH-]c(-c4cccs4)cc23)cc1.c1ccc(-c2cccc3[cH-]c(-c4cccs4)cc23)cc1
InChIInChI=1S/2C19H13S.C2H6Si.2ClH.Zr/c2*1-2-6-14(7-3-1)17-9-4-8-15-12-16(13-18(15)17)19-10-5-11-20-19;1-3-2;;;/h2*1-13H;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyPTPFVDQBBGERQD-UHFFFAOYSA-L
XLogP6.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.05
LogP ≤ 56.70
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'}

Analyze dimethylsilylidenezirconium(2+);bis(2-(4-phenyl-1H-inden-1-id-2-yl)thiophene);dichloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(dimethylsilylidenezirconium(2+));tetrakis(2,4-diphenyl-1H-inden-1-ide);dichloride
CID 22602504
dimethylsilylidenezirconium(2+);bis(trimethyl-(4-phenyl-1H-inden-1-id-2-yl)silane);dichloride
CID 161496746
dimethylsilylidenetitanium(2+);bis(2,4-diphenyl-1H-inden-1-ide);dichloride
CID 158536405
bis(2-phenyl-5-(4-phenyl-1H-inden-1-id-2-yl)thiophene);zirconium(4+);dichloride
CID 18420801
dimethylsilylidenezirconium(2+);bis(2-methyl-4-(4-phenylphenyl)-1H-inden-1-ide);dichloride
CID 173142029
bis(dimethylsilylidenezirconium(2+));tetrakis(2-ethyl-4-phenyl-1H-inden-1-ide);dichloride
CID 18008267
dimethylsilylidenezirconium(2+);bis(2-ethyl-4-phenyl-1H-inden-1-ide);dichloride
CID 18433941
bis(2-butyl-4-phenyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride
CID 173142083
bis(dimethylsilylidenehafnium(2+));bis(2,4-diphenyl-1H-inden-1-ide);bis(2-methyl-4-phenyl-1H-inden-1-ide);dichloride
CID 22251028
tetrakis(2-methyl-4-phenyl-1H-inden-1-ide);bis([methyl(phenyl)silylidene]zirconium(2+));dichloride
CID 22335809
2,7-dimethyl-4-phenyl-1H-inden-1-ide;2-(2,6-dimethylphenyl)-4-phenyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride
CID 161275670
diphenylsilylidenezirconium(2+);bis(2-methyl-4-phenyl-1H-inden-1-ide);dichloride
CID 162314142

Frequently Asked Questions

What is the IUPAC name of dimethylsilylidenezirconium(2+);bis(2-(4-phenyl-1H-inden-1-id-2-yl)thiophene);dichloride?
The IUPAC name of dimethylsilylidenezirconium(2+);bis(2-(4-phenyl-1H-inden-1-id-2-yl)thiophene);dichloride (CID 172832484) is dimethylsilylidenezirconium(2+);bis(2-(4-phenyl-1H-inden-1-id-2-yl)thiophene);dichloride.
What is the SMILES notation for dimethylsilylidenezirconium(2+);bis(2-(4-phenyl-1H-inden-1-id-2-yl)thiophene);dichloride?
The canonical SMILES for dimethylsilylidenezirconium(2+);bis(2-(4-phenyl-1H-inden-1-id-2-yl)thiophene);dichloride is C[Si](C)=[Zr+2].[Cl-].[Cl-].c1ccc(-c2cccc3[cH-]c(-c4cccs4)cc23)cc1.c1ccc(-c2cccc3[cH-]c(-c4cccs4)cc23)cc1.
What is the InChIKey of dimethylsilylidenezirconium(2+);bis(2-(4-phenyl-1H-inden-1-id-2-yl)thiophene);dichloride?
The InChIKey is PTPFVDQBBGERQD-UHFFFAOYSA-L. The full InChI is InChI=1S/2C19H13S.C2H6Si.2ClH.Zr/c2*1-2-6-14(7-3-1)17-9-4-8-15-12-16(13-18(15)17)19-10-5-11-20-19;1-3-2;;;/h2*1-13H;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of dimethylsilylidenezirconium(2+);bis(2-(4-phenyl-1H-inden-1-id-2-yl)thiophene);dichloride?
dimethylsilylidenezirconium(2+);bis(2-(4-phenyl-1H-inden-1-id-2-yl)thiophene);dichloride has a molecular weight of 767.05 g/mol, XLogP of 6.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylsilylidenezirconium(2+);bis(2-(4-phenyl-1H-inden-1-id-2-yl)thiophene);dichloride is sourced from PubChem (CID 172832484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).