(3-cyclopenta-1,3-dien-1-yl-2-phenyl-2H-cyclopenta[b]thiophen-1-ylidene)-dimethylsilane;zirconium(2+);dichloride

C20H20Cl2SSiZr — CID 173184629

IUPAC(3-cyclopenta-1,3-dien-1-yl-2-phenyl-2H-cyclopenta[b]thiophen-1-ylidene)-dimethylsilane;zirconium(2+);dichloride
SMILESC[Si](C)=S1C2=CC=CC2=C(C2=CC=CC2)C1c1ccccc1.[Cl-].[Cl-].[Zr+2]
InChIInChI=1S/C20H20SSi.2ClH.Zr/c1-22(2)21-18-14-8-13-17(18)19(15-9-6-7-10-15)20(21)16-11-4-3-5-12-16;;;/h3-9,11-14,20H,10H2,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyOLANHCLYCYFSDG-UHFFFAOYSA-L
MW482.66 g/mol
LogP-0.10
Rot. Bonds2

About (3-cyclopenta-1,3-dien-1-yl-2-phenyl-2H-cyclopenta[b]thiophen-1-ylidene)-dimethylsilane;zirconium(2+);dichloride

(3-cyclopenta-1,3-dien-1-yl-2-phenyl-2H-cyclopenta[b]thiophen-1-ylidene)-dimethylsilane;zirconium(2+);dichloride (PubChem CID 173184629) has the molecular formula C20H20Cl2SSiZr and a molecular weight of 482.66 g/mol. Its IUPAC name is (3-cyclopenta-1,3-dien-1-yl-2-phenyl-2H-cyclopenta[b]thiophen-1-ylidene)-dimethylsilane;zirconium(2+);dichloride.

Molecular Properties

Compound Name(3-cyclopenta-1,3-dien-1-yl-2-phenyl-2H-cyclopenta[b]thiophen-1-ylidene)-dimethylsilane;zirconium(2+);dichloride
PubChem CID173184629
Molecular FormulaC20H20Cl2SSiZr
Molecular Weight482.66 g/mol
Exact Mass479.95
IUPAC Name(3-cyclopenta-1,3-dien-1-yl-2-phenyl-2H-cyclopenta[b]thiophen-1-ylidene)-dimethylsilane;zirconium(2+);dichloride
SMILESC[Si](C)=S1C2=CC=CC2=C(C2=CC=CC2)C1c1ccccc1.[Cl-].[Cl-].[Zr+2]
InChIInChI=1S/C20H20SSi.2ClH.Zr/c1-22(2)21-18-14-8-13-17(18)19(15-9-6-7-10-15)20(21)16-11-4-3-5-12-16;;;/h3-9,11-14,20H,10H2,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyOLANHCLYCYFSDG-UHFFFAOYSA-L
XLogP-0.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.66
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-cyclopenta-1,3-dien-1-yl-2-phenyl-2H-cyclopenta[b]thiophen-1-ylidene)-dimethylsilane;zirconium(2+);dichloride?
The IUPAC name of (3-cyclopenta-1,3-dien-1-yl-2-phenyl-2H-cyclopenta[b]thiophen-1-ylidene)-dimethylsilane;zirconium(2+);dichloride (CID 173184629) is (3-cyclopenta-1,3-dien-1-yl-2-phenyl-2H-cyclopenta[b]thiophen-1-ylidene)-dimethylsilane;zirconium(2+);dichloride.
What is the SMILES notation for (3-cyclopenta-1,3-dien-1-yl-2-phenyl-2H-cyclopenta[b]thiophen-1-ylidene)-dimethylsilane;zirconium(2+);dichloride?
The canonical SMILES for (3-cyclopenta-1,3-dien-1-yl-2-phenyl-2H-cyclopenta[b]thiophen-1-ylidene)-dimethylsilane;zirconium(2+);dichloride is C[Si](C)=S1C2=CC=CC2=C(C2=CC=CC2)C1c1ccccc1.[Cl-].[Cl-].[Zr+2].
What is the InChIKey of (3-cyclopenta-1,3-dien-1-yl-2-phenyl-2H-cyclopenta[b]thiophen-1-ylidene)-dimethylsilane;zirconium(2+);dichloride?
The InChIKey is OLANHCLYCYFSDG-UHFFFAOYSA-L. The full InChI is InChI=1S/C20H20SSi.2ClH.Zr/c1-22(2)21-18-14-8-13-17(18)19(15-9-6-7-10-15)20(21)16-11-4-3-5-12-16;;;/h3-9,11-14,20H,10H2,1-2H3;2*1H;/q;;;+2/p-2.
What are the key properties of (3-cyclopenta-1,3-dien-1-yl-2-phenyl-2H-cyclopenta[b]thiophen-1-ylidene)-dimethylsilane;zirconium(2+);dichloride?
(3-cyclopenta-1,3-dien-1-yl-2-phenyl-2H-cyclopenta[b]thiophen-1-ylidene)-dimethylsilane;zirconium(2+);dichloride has a molecular weight of 482.66 g/mol, XLogP of -0.10, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopenta-1,3-dien-1-yl-2-phenyl-2H-cyclopenta[b]thiophen-1-ylidene)-dimethylsilane;zirconium(2+);dichloride is sourced from PubChem (CID 173184629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).