dimethylsilylidenezirconium(2+);bis(2-ethyl-1H-cyclopenta[b]naphthalen-1-ide);dichloride

C32H32Cl2SiZr-2 — CID 87434355

IUPACdimethylsilylidenezirconium(2+);bis(2-ethyl-1H-cyclopenta[b]naphthalen-1-ide);dichloride
SMILESCCc1cc2cc3ccccc3cc2[cH-]1.CCc1cc2cc3ccccc3cc2[cH-]1.C[Si](C)=[Zr+2].[Cl-].[Cl-]
InChIInChI=1S/2C15H13.C2H6Si.2ClH.Zr/c2*1-2-11-7-14-9-12-5-3-4-6-13(12)10-15(14)8-11;1-3-2;;;/h2*3-10H,2H2,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyVKTSFWVCVYIZSN-UHFFFAOYSA-L
MW606.82 g/mol
LogP3.34
Rot. Bonds2

About dimethylsilylidenezirconium(2+);bis(2-ethyl-1H-cyclopenta[b]naphthalen-1-ide);dichloride

dimethylsilylidenezirconium(2+);bis(2-ethyl-1H-cyclopenta[b]naphthalen-1-ide);dichloride (PubChem CID 87434355) has the molecular formula C32H32Cl2SiZr-2 and a molecular weight of 606.82 g/mol. Its IUPAC name is dimethylsilylidenezirconium(2+);bis(2-ethyl-1H-cyclopenta[b]naphthalen-1-ide);dichloride.

Molecular Properties

Compound Namedimethylsilylidenezirconium(2+);bis(2-ethyl-1H-cyclopenta[b]naphthalen-1-ide);dichloride
PubChem CID87434355
Molecular FormulaC32H32Cl2SiZr-2
Molecular Weight606.82 g/mol
Exact Mass604.07
IUPAC Namedimethylsilylidenezirconium(2+);bis(2-ethyl-1H-cyclopenta[b]naphthalen-1-ide);dichloride
SMILESCCc1cc2cc3ccccc3cc2[cH-]1.CCc1cc2cc3ccccc3cc2[cH-]1.C[Si](C)=[Zr+2].[Cl-].[Cl-]
InChIInChI=1S/2C15H13.C2H6Si.2ClH.Zr/c2*1-2-11-7-14-9-12-5-3-4-6-13(12)10-15(14)8-11;1-3-2;;;/h2*3-10H,2H2,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyVKTSFWVCVYIZSN-UHFFFAOYSA-L
XLogP3.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500606.82
LogP ≤ 53.34
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

chromium(3+);2-ethyl-1H-inden-1-ide;dichloride
CID 160866038
bis(2-ethyl-1H-inden-1-ide);scandium(3+);chloride
CID 174370815
CID 173161362
CID 173161362
CID 172728352
CID 172728352
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
diphenylsilylidenetitanium(2+);bis(2-ethyl-1H-inden-1-ide);dichloride
CID 158143792
dimethylsilylidenezirconium(2+);bis(2-ethyl-4-(2-methylphenyl)-1H-inden-1-ide);dichloride
CID 173142082
CID 172721451
CID 172721451
CID 173162612
CID 173162612
tetrakis(4-(2-bromophenyl)-2-ethyl-1H-inden-1-ide);bis(dimethylsilylidenezirconium(2+));dichloride
CID 18008297
carbanide;bis(2-ethyl-1H-inden-1-ide);propane;zirconium(3+);zirconium(4+)
CID 173263826

Frequently Asked Questions

What is the IUPAC name of dimethylsilylidenezirconium(2+);bis(2-ethyl-1H-cyclopenta[b]naphthalen-1-ide);dichloride?
The IUPAC name of dimethylsilylidenezirconium(2+);bis(2-ethyl-1H-cyclopenta[b]naphthalen-1-ide);dichloride (CID 87434355) is dimethylsilylidenezirconium(2+);bis(2-ethyl-1H-cyclopenta[b]naphthalen-1-ide);dichloride.
What is the SMILES notation for dimethylsilylidenezirconium(2+);bis(2-ethyl-1H-cyclopenta[b]naphthalen-1-ide);dichloride?
The canonical SMILES for dimethylsilylidenezirconium(2+);bis(2-ethyl-1H-cyclopenta[b]naphthalen-1-ide);dichloride is CCc1cc2cc3ccccc3cc2[cH-]1.CCc1cc2cc3ccccc3cc2[cH-]1.C[Si](C)=[Zr+2].[Cl-].[Cl-].
What is the InChIKey of dimethylsilylidenezirconium(2+);bis(2-ethyl-1H-cyclopenta[b]naphthalen-1-ide);dichloride?
The InChIKey is VKTSFWVCVYIZSN-UHFFFAOYSA-L. The full InChI is InChI=1S/2C15H13.C2H6Si.2ClH.Zr/c2*1-2-11-7-14-9-12-5-3-4-6-13(12)10-15(14)8-11;1-3-2;;;/h2*3-10H,2H2,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of dimethylsilylidenezirconium(2+);bis(2-ethyl-1H-cyclopenta[b]naphthalen-1-ide);dichloride?
dimethylsilylidenezirconium(2+);bis(2-ethyl-1H-cyclopenta[b]naphthalen-1-ide);dichloride has a molecular weight of 606.82 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylsilylidenezirconium(2+);bis(2-ethyl-1H-cyclopenta[b]naphthalen-1-ide);dichloride is sourced from PubChem (CID 87434355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).