3-phenyl-1H-inden-1-ide;silolan-1-ylidenezirconium(2+);1,2,3,5-tetramethylcyclopenta-1,3-diene;dihydrochloride

C28H34Cl2SiZr — CID 90234921

IUPAC3-phenyl-1H-inden-1-ide;silolan-1-ylidenezirconium(2+);1,2,3,5-tetramethylcyclopenta-1,3-diene;dihydrochloride
SMILESCC1=[C-]C(C)C(C)=C1C.Cl.Cl.[Zr+2]=[Si]1CCCC1.c1ccc(-c2c[cH-]c3ccccc23)cc1
InChIInChI=1S/C15H11.C9H13.C4H8Si.2ClH.Zr/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)15;1-6-5-7(2)9(4)8(6)3;1-2-4-5-3-1;;;/h1-11H;6H,1-4H3;1-4H2;2*1H;/q2*-1;;;;+2
InChIKeyHAQPNWGGBBAUBJ-UHFFFAOYSA-N
MW560.80 g/mol
LogP9.11
Rot. Bonds1

About 3-phenyl-1H-inden-1-ide;silolan-1-ylidenezirconium(2+);1,2,3,5-tetramethylcyclopenta-1,3-diene;dihydrochloride

3-phenyl-1H-inden-1-ide;silolan-1-ylidenezirconium(2+);1,2,3,5-tetramethylcyclopenta-1,3-diene;dihydrochloride (PubChem CID 90234921) has the molecular formula C28H34Cl2SiZr and a molecular weight of 560.80 g/mol. Its IUPAC name is 3-phenyl-1H-inden-1-ide;silolan-1-ylidenezirconium(2+);1,2,3,5-tetramethylcyclopenta-1,3-diene;dihydrochloride.

Molecular Properties

Compound Name3-phenyl-1H-inden-1-ide;silolan-1-ylidenezirconium(2+);1,2,3,5-tetramethylcyclopenta-1,3-diene;dihydrochloride
PubChem CID90234921
Molecular FormulaC28H34Cl2SiZr
Molecular Weight560.80 g/mol
Exact Mass558.09
IUPAC Name3-phenyl-1H-inden-1-ide;silolan-1-ylidenezirconium(2+);1,2,3,5-tetramethylcyclopenta-1,3-diene;dihydrochloride
SMILESCC1=[C-]C(C)C(C)=C1C.Cl.Cl.[Zr+2]=[Si]1CCCC1.c1ccc(-c2c[cH-]c3ccccc23)cc1
InChIInChI=1S/C15H11.C9H13.C4H8Si.2ClH.Zr/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)15;1-6-5-7(2)9(4)8(6)3;1-2-4-5-3-1;;;/h1-11H;6H,1-4H3;1-4H2;2*1H;/q2*-1;;;;+2
InChIKeyHAQPNWGGBBAUBJ-UHFFFAOYSA-N
XLogP9.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.80
LogP ≤ 59.11
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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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1H-inden-1-ide;silolan-1-ylidenezirconium(2+);1,2,3,5-tetramethylcyclopenta-1,3-diene;dihydrochloride?
The IUPAC name of 3-phenyl-1H-inden-1-ide;silolan-1-ylidenezirconium(2+);1,2,3,5-tetramethylcyclopenta-1,3-diene;dihydrochloride (CID 90234921) is 3-phenyl-1H-inden-1-ide;silolan-1-ylidenezirconium(2+);1,2,3,5-tetramethylcyclopenta-1,3-diene;dihydrochloride.
What is the SMILES notation for 3-phenyl-1H-inden-1-ide;silolan-1-ylidenezirconium(2+);1,2,3,5-tetramethylcyclopenta-1,3-diene;dihydrochloride?
The canonical SMILES for 3-phenyl-1H-inden-1-ide;silolan-1-ylidenezirconium(2+);1,2,3,5-tetramethylcyclopenta-1,3-diene;dihydrochloride is CC1=[C-]C(C)C(C)=C1C.Cl.Cl.[Zr+2]=[Si]1CCCC1.c1ccc(-c2c[cH-]c3ccccc23)cc1.
What is the InChIKey of 3-phenyl-1H-inden-1-ide;silolan-1-ylidenezirconium(2+);1,2,3,5-tetramethylcyclopenta-1,3-diene;dihydrochloride?
The InChIKey is HAQPNWGGBBAUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11.C9H13.C4H8Si.2ClH.Zr/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)15;1-6-5-7(2)9(4)8(6)3;1-2-4-5-3-1;;;/h1-11H;6H,1-4H3;1-4H2;2*1H;/q2*-1;;;;+2.
What are the key properties of 3-phenyl-1H-inden-1-ide;silolan-1-ylidenezirconium(2+);1,2,3,5-tetramethylcyclopenta-1,3-diene;dihydrochloride?
3-phenyl-1H-inden-1-ide;silolan-1-ylidenezirconium(2+);1,2,3,5-tetramethylcyclopenta-1,3-diene;dihydrochloride has a molecular weight of 560.80 g/mol, XLogP of 9.11, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1H-inden-1-ide;silolan-1-ylidenezirconium(2+);1,2,3,5-tetramethylcyclopenta-1,3-diene;dihydrochloride is sourced from PubChem (CID 90234921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).