dimethylsilylidenezirconium(2+);1-(1H-inden-1-id-4-yl)naphthalene;dichloride

C21H19Cl2SiZr- — CID 157440870

IUPACdimethylsilylidenezirconium(2+);1-(1H-inden-1-id-4-yl)naphthalene;dichloride
SMILESC[Si](C)=[Zr+2].[Cl-].[Cl-].c1ccc2c(-c3cccc4[cH-]ccc34)cccc2c1
InChIInChI=1S/C19H13.C2H6Si.2ClH.Zr/c1-2-10-16-14(6-1)8-4-12-18(16)19-13-5-9-15-7-3-11-17(15)19;1-3-2;;;/h1-13H;1-2H3;2*1H;/q-1;;;;+2/p-2
InChIKeyGJWJYSZVKNJBKA-UHFFFAOYSA-L
MW461.60 g/mol
LogP0.17
Rot. Bonds1

About dimethylsilylidenezirconium(2+);1-(1H-inden-1-id-4-yl)naphthalene;dichloride

dimethylsilylidenezirconium(2+);1-(1H-inden-1-id-4-yl)naphthalene;dichloride (PubChem CID 157440870) has the molecular formula C21H19Cl2SiZr- and a molecular weight of 461.60 g/mol. Its IUPAC name is dimethylsilylidenezirconium(2+);1-(1H-inden-1-id-4-yl)naphthalene;dichloride.

Molecular Properties

Compound Namedimethylsilylidenezirconium(2+);1-(1H-inden-1-id-4-yl)naphthalene;dichloride
PubChem CID157440870
Molecular FormulaC21H19Cl2SiZr-
Molecular Weight461.60 g/mol
Exact Mass458.97
IUPAC Namedimethylsilylidenezirconium(2+);1-(1H-inden-1-id-4-yl)naphthalene;dichloride
SMILESC[Si](C)=[Zr+2].[Cl-].[Cl-].c1ccc2c(-c3cccc4[cH-]ccc34)cccc2c1
InChIInChI=1S/C19H13.C2H6Si.2ClH.Zr/c1-2-10-16-14(6-1)8-4-12-18(16)19-13-5-9-15-7-3-11-17(15)19;1-3-2;;;/h1-13H;1-2H3;2*1H;/q-1;;;;+2/p-2
InChIKeyGJWJYSZVKNJBKA-UHFFFAOYSA-L
XLogP0.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.60
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

tris(dimethylsilylidenezirconium(2+));bis(1H-inden-1-ide);bis(1-(1H-inden-1-id-4-yl)naphthalene);bis(2-methyl-1H-cyclopenta[a]naphthalen-1-ide);hexahydrochloride
CID 172797352
dimethylsilylidenezirconium(2+);4-methyl-1H-inden-1-ide;4-phenyl-1H-inden-1-ide;dichloride
CID 18369813
bis(3H-cyclopenta[a]naphthalen-3-ide);dimethylsilylidenetitanium(2+);dichloride
CID 87101181
dimethylsilylidenezirconium(2+);bis(1-[2-(2-methylpropyl)-1H-inden-1-id-4-yl]naphthalene);dichloride
CID 173142018
1-naphthalen-1-ylnaphthalene;ruthenium(2+);dichloride
CID 11327769
3H-cyclopenta[a]naphthalen-3-ide;hafnium;dichloride
CID 87618758
CID 159367607
CID 159367607
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
CID 175282704
CID 175282704
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408
1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096

Frequently Asked Questions

What is the IUPAC name of dimethylsilylidenezirconium(2+);1-(1H-inden-1-id-4-yl)naphthalene;dichloride?
The IUPAC name of dimethylsilylidenezirconium(2+);1-(1H-inden-1-id-4-yl)naphthalene;dichloride (CID 157440870) is dimethylsilylidenezirconium(2+);1-(1H-inden-1-id-4-yl)naphthalene;dichloride.
What is the SMILES notation for dimethylsilylidenezirconium(2+);1-(1H-inden-1-id-4-yl)naphthalene;dichloride?
The canonical SMILES for dimethylsilylidenezirconium(2+);1-(1H-inden-1-id-4-yl)naphthalene;dichloride is C[Si](C)=[Zr+2].[Cl-].[Cl-].c1ccc2c(-c3cccc4[cH-]ccc34)cccc2c1.
What is the InChIKey of dimethylsilylidenezirconium(2+);1-(1H-inden-1-id-4-yl)naphthalene;dichloride?
The InChIKey is GJWJYSZVKNJBKA-UHFFFAOYSA-L. The full InChI is InChI=1S/C19H13.C2H6Si.2ClH.Zr/c1-2-10-16-14(6-1)8-4-12-18(16)19-13-5-9-15-7-3-11-17(15)19;1-3-2;;;/h1-13H;1-2H3;2*1H;/q-1;;;;+2/p-2.
What are the key properties of dimethylsilylidenezirconium(2+);1-(1H-inden-1-id-4-yl)naphthalene;dichloride?
dimethylsilylidenezirconium(2+);1-(1H-inden-1-id-4-yl)naphthalene;dichloride has a molecular weight of 461.60 g/mol, XLogP of 0.17, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylsilylidenezirconium(2+);1-(1H-inden-1-id-4-yl)naphthalene;dichloride is sourced from PubChem (CID 157440870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).