3-phenyl-1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(4+);dichloride

C24H24Cl2Zr — CID 175756719

IUPAC3-phenyl-1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(4+);dichloride
SMILESCc1c[c-](C)c(C)c1C.[Cl-].[Cl-].[Zr+4].c1ccc(-c2c[cH-]c3ccccc23)cc1
InChIInChI=1S/C15H11.C9H13.2ClH.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;;;/h1-11H;5H,1-4H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyKWQIBRUUFJMVEZ-UHFFFAOYSA-L
MW474.59 g/mol
LogP0.87
Rot. Bonds1

About 3-phenyl-1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(4+);dichloride

3-phenyl-1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(4+);dichloride (PubChem CID 175756719) has the molecular formula C24H24Cl2Zr and a molecular weight of 474.59 g/mol. Its IUPAC name is 3-phenyl-1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(4+);dichloride.

Molecular Properties

Compound Name3-phenyl-1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(4+);dichloride
PubChem CID175756719
Molecular FormulaC24H24Cl2Zr
Molecular Weight474.59 g/mol
Exact Mass472.03
IUPAC Name3-phenyl-1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(4+);dichloride
SMILESCc1c[c-](C)c(C)c1C.[Cl-].[Cl-].[Zr+4].c1ccc(-c2c[cH-]c3ccccc23)cc1
InChIInChI=1S/C15H11.C9H13.2ClH.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;;;/h1-11H;5H,1-4H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyKWQIBRUUFJMVEZ-UHFFFAOYSA-L
XLogP0.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.59
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3-phenyl-1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(4+);dichloride with MolForge

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Related Compounds

Fluorene
CID 6853
9-Methylfluorene
CID 17299
2,3-Dihydro-1,1,3-trimethyl-3-phenyl-1H-indene
CID 19793
1-Methyl-3-phenylindane
CID 22924
9-Methylene-9H-fluorene
CID 78147
9,9'-Bifluorene
CID 137063
Fluorene-D10
CID 6913203
9H-Fluorene, 9-(9H-fluoren-9-ylidene)-
CID 136564
9-Benzylidenefluorene
CID 137231
Meso-ethylenebis(1-indenyl)zirconium(IV) dichloride
CID 16212518
Bis(indenyl)zirconium dichloride
CID 15789605
Ethylenebis(indenyl)zirconium dichloride
CID 15806102

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(4+);dichloride?
The IUPAC name of 3-phenyl-1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(4+);dichloride (CID 175756719) is 3-phenyl-1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(4+);dichloride.
What is the SMILES notation for 3-phenyl-1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(4+);dichloride?
The canonical SMILES for 3-phenyl-1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(4+);dichloride is Cc1c[c-](C)c(C)c1C.[Cl-].[Cl-].[Zr+4].c1ccc(-c2c[cH-]c3ccccc23)cc1.
What is the InChIKey of 3-phenyl-1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(4+);dichloride?
The InChIKey is KWQIBRUUFJMVEZ-UHFFFAOYSA-L. The full InChI is InChI=1S/C15H11.C9H13.2ClH.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;;;/h1-11H;5H,1-4H3;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of 3-phenyl-1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(4+);dichloride?
3-phenyl-1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(4+);dichloride has a molecular weight of 474.59 g/mol, XLogP of 0.87, 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;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(4+);dichloride is sourced from PubChem (CID 175756719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).