dimethylsilylidenezirconium(2+);1H-inden-1-ide;trimethyl-(4-quinolin-3-yl-1H-inden-1-id-2-yl)silane;dichloride

C32H33Cl2NSi2Zr-2 — CID 158183837

IUPACdimethylsilylidenezirconium(2+);1H-inden-1-ide;trimethyl-(4-quinolin-3-yl-1H-inden-1-id-2-yl)silane;dichloride
SMILESC[Si](C)(C)c1cc2c(-c3cnc4ccccc4c3)cccc2[cH-]1.C[Si](C)=[Zr+2].[Cl-].[Cl-].c1ccc2[cH-]ccc2c1
InChIInChI=1S/C21H20NSi.C9H7.C2H6Si.2ClH.Zr/c1-23(2,3)18-12-15-8-6-9-19(20(15)13-18)17-11-16-7-4-5-10-21(16)22-14-17;1-2-5-9-7-3-6-8(9)4-1;1-3-2;;;/h4-14H,1-3H3;1-7H;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyUEZQTLQDAFLXSA-UHFFFAOYSA-L
MW649.93 g/mol
LogP2.67
Rot. Bonds2

About dimethylsilylidenezirconium(2+);1H-inden-1-ide;trimethyl-(4-quinolin-3-yl-1H-inden-1-id-2-yl)silane;dichloride

dimethylsilylidenezirconium(2+);1H-inden-1-ide;trimethyl-(4-quinolin-3-yl-1H-inden-1-id-2-yl)silane;dichloride (PubChem CID 158183837) has the molecular formula C32H33Cl2NSi2Zr-2 and a molecular weight of 649.93 g/mol. Its IUPAC name is dimethylsilylidenezirconium(2+);1H-inden-1-ide;trimethyl-(4-quinolin-3-yl-1H-inden-1-id-2-yl)silane;dichloride.

Molecular Properties

Compound Namedimethylsilylidenezirconium(2+);1H-inden-1-ide;trimethyl-(4-quinolin-3-yl-1H-inden-1-id-2-yl)silane;dichloride
PubChem CID158183837
Molecular FormulaC32H33Cl2NSi2Zr-2
Molecular Weight649.93 g/mol
Exact Mass647.06
IUPAC Namedimethylsilylidenezirconium(2+);1H-inden-1-ide;trimethyl-(4-quinolin-3-yl-1H-inden-1-id-2-yl)silane;dichloride
SMILESC[Si](C)(C)c1cc2c(-c3cnc4ccccc4c3)cccc2[cH-]1.C[Si](C)=[Zr+2].[Cl-].[Cl-].c1ccc2[cH-]ccc2c1
InChIInChI=1S/C21H20NSi.C9H7.C2H6Si.2ClH.Zr/c1-23(2,3)18-12-15-8-6-9-19(20(15)13-18)17-11-16-7-4-5-10-21(16)22-14-17;1-2-5-9-7-3-6-8(9)4-1;1-3-2;;;/h4-14H,1-3H3;1-7H;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyUEZQTLQDAFLXSA-UHFFFAOYSA-L
XLogP2.67
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500649.93
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

dimethylsilylidenezirconium(2+);bis(trimethyl-(4-quinolin-3-yl-1H-inden-1-id-2-yl)silane);dichloride
CID 157116329
dimethylsilylidenezirconium(2+);bis(trimethyl-(4-phenyl-1H-inden-1-id-2-yl)silane);dichloride
CID 161496746
bis(3-(2-methyl-1H-inden-1-id-4-yl)quinoline);bis(zirconium(2+));dichloride
CID 18938211
1,9-dihydrofluoren-1-ide;dimethylsilylidenezirconium(2+);3-(2-methyl-1H-inden-1-id-4-yl)quinoline;dichloride
CID 161375095
dichloro(dimethylsilylidene)zirconium;2,4-diphenyl-1H-inden-1-ide;1H-inden-1-ide
CID 173268351
bis(dimethylsilylidenezirconium(2+));tetrakis(2,4-diphenyl-1H-inden-1-ide);dichloride
CID 22602504
bis(1H-inden-1-ide);bis(2-methyl-4-phenyl-1H-inden-1-ide);bis(zirconium(2+));dichloride
CID 23369269
bis(trimethyl-(4-pyridin-2-yl-1H-inden-1-id-2-yl)silane);bis(zirconium(2+));dichloride
CID 18938344
CID 173317267
CID 173317267
dimethylsilylidenezirconium(2+);1-(1H-inden-1-id-4-yl)naphthalene;dichloride
CID 157440870
bis(1H-inden-1-id-2-yl(trimethyl)silane);vanadium;chloride
CID 173274406
dimethylsilylidenetitanium(2+);bis(2,4-diphenyl-1H-inden-1-ide);dichloride
CID 158536405

Frequently Asked Questions

What is the IUPAC name of dimethylsilylidenezirconium(2+);1H-inden-1-ide;trimethyl-(4-quinolin-3-yl-1H-inden-1-id-2-yl)silane;dichloride?
The IUPAC name of dimethylsilylidenezirconium(2+);1H-inden-1-ide;trimethyl-(4-quinolin-3-yl-1H-inden-1-id-2-yl)silane;dichloride (CID 158183837) is dimethylsilylidenezirconium(2+);1H-inden-1-ide;trimethyl-(4-quinolin-3-yl-1H-inden-1-id-2-yl)silane;dichloride.
What is the SMILES notation for dimethylsilylidenezirconium(2+);1H-inden-1-ide;trimethyl-(4-quinolin-3-yl-1H-inden-1-id-2-yl)silane;dichloride?
The canonical SMILES for dimethylsilylidenezirconium(2+);1H-inden-1-ide;trimethyl-(4-quinolin-3-yl-1H-inden-1-id-2-yl)silane;dichloride is C[Si](C)(C)c1cc2c(-c3cnc4ccccc4c3)cccc2[cH-]1.C[Si](C)=[Zr+2].[Cl-].[Cl-].c1ccc2[cH-]ccc2c1.
What is the InChIKey of dimethylsilylidenezirconium(2+);1H-inden-1-ide;trimethyl-(4-quinolin-3-yl-1H-inden-1-id-2-yl)silane;dichloride?
The InChIKey is UEZQTLQDAFLXSA-UHFFFAOYSA-L. The full InChI is InChI=1S/C21H20NSi.C9H7.C2H6Si.2ClH.Zr/c1-23(2,3)18-12-15-8-6-9-19(20(15)13-18)17-11-16-7-4-5-10-21(16)22-14-17;1-2-5-9-7-3-6-8(9)4-1;1-3-2;;;/h4-14H,1-3H3;1-7H;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of dimethylsilylidenezirconium(2+);1H-inden-1-ide;trimethyl-(4-quinolin-3-yl-1H-inden-1-id-2-yl)silane;dichloride?
dimethylsilylidenezirconium(2+);1H-inden-1-ide;trimethyl-(4-quinolin-3-yl-1H-inden-1-id-2-yl)silane;dichloride has a molecular weight of 649.93 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylsilylidenezirconium(2+);1H-inden-1-ide;trimethyl-(4-quinolin-3-yl-1H-inden-1-id-2-yl)silane;dichloride is sourced from PubChem (CID 158183837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).