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

C21H18Cl2Zr — CID 160745870

IUPACcyclopenta-1,3-diene;2-methyl-4-phenyl-1H-inden-1-ide;zirconium(4+);dichloride
SMILESCc1cc2c(-c3ccccc3)cccc2[cH-]1.[Cl-].[Cl-].[Zr+4].c1cc[cH-]c1
InChIInChI=1S/C16H13.C5H5.2ClH.Zr/c1-12-10-14-8-5-9-15(16(14)11-12)13-6-3-2-4-7-13;1-2-4-5-3-1;;;/h2-11H,1H3;1-5H;2*1H;/q2*-1;;;+4/p-2
InChIKeyLZCWQIQPHLPMJV-UHFFFAOYSA-L
MW432.51 g/mol
LogP-0.05
Rot. Bonds1

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

cyclopenta-1,3-diene;2-methyl-4-phenyl-1H-inden-1-ide;zirconium(4+);dichloride (PubChem CID 160745870) has the molecular formula C21H18Cl2Zr and a molecular weight of 432.51 g/mol. Its IUPAC name is cyclopenta-1,3-diene;2-methyl-4-phenyl-1H-inden-1-ide;zirconium(4+);dichloride.

Molecular Properties

Compound Namecyclopenta-1,3-diene;2-methyl-4-phenyl-1H-inden-1-ide;zirconium(4+);dichloride
PubChem CID160745870
Molecular FormulaC21H18Cl2Zr
Molecular Weight432.51 g/mol
Exact Mass429.98
IUPAC Namecyclopenta-1,3-diene;2-methyl-4-phenyl-1H-inden-1-ide;zirconium(4+);dichloride
SMILESCc1cc2c(-c3ccccc3)cccc2[cH-]1.[Cl-].[Cl-].[Zr+4].c1cc[cH-]c1
InChIInChI=1S/C16H13.C5H5.2ClH.Zr/c1-12-10-14-8-5-9-15(16(14)11-12)13-6-3-2-4-7-13;1-2-4-5-3-1;;;/h2-11H,1H3;1-5H;2*1H;/q2*-1;;;+4/p-2
InChIKeyLZCWQIQPHLPMJV-UHFFFAOYSA-L
XLogP-0.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

bis(2-methyl-4-phenyl-1H-inden-1-ide);bis(titanium(2+));dichloride
CID 22104595
hafnium;2-methyl-4-phenyl-1H-inden-1-ide
CID 154081664
CID 173168918
CID 173168918
CID 173284099
CID 173284099
CID 173314158
CID 173314158
dichlorozirconium;2-methyl-4-phenyl-1H-inden-1-ide
CID 173091185
dimethylsilylidenezirconium(2+);bis(2-methyl-4-(4-phenylphenyl)-1H-inden-1-ide);dichloride
CID 173142029
bis(1H-inden-1-ide);bis(2-methyl-4-phenyl-1H-inden-1-ide);bis(zirconium(2+));dichloride
CID 23369269
diphenylsilylidenezirconium(2+);bis(2-methyl-4-phenyl-1H-inden-1-ide);dichloride
CID 162314142
tetrakis(2-methyl-4-phenyl-1H-inden-1-ide);bis([methyl(phenyl)silylidene]zirconium(2+));dichloride
CID 22335809
bis(2-methyl-4-phenyl-1H-inden-1-ide);phenylboranylidenezirconium(2+);dichloride
CID 158019143
CID 87993698
CID 87993698

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;2-methyl-4-phenyl-1H-inden-1-ide;zirconium(4+);dichloride?
The IUPAC name of cyclopenta-1,3-diene;2-methyl-4-phenyl-1H-inden-1-ide;zirconium(4+);dichloride (CID 160745870) is cyclopenta-1,3-diene;2-methyl-4-phenyl-1H-inden-1-ide;zirconium(4+);dichloride.
What is the SMILES notation for cyclopenta-1,3-diene;2-methyl-4-phenyl-1H-inden-1-ide;zirconium(4+);dichloride?
The canonical SMILES for cyclopenta-1,3-diene;2-methyl-4-phenyl-1H-inden-1-ide;zirconium(4+);dichloride is Cc1cc2c(-c3ccccc3)cccc2[cH-]1.[Cl-].[Cl-].[Zr+4].c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;2-methyl-4-phenyl-1H-inden-1-ide;zirconium(4+);dichloride?
The InChIKey is LZCWQIQPHLPMJV-UHFFFAOYSA-L. The full InChI is InChI=1S/C16H13.C5H5.2ClH.Zr/c1-12-10-14-8-5-9-15(16(14)11-12)13-6-3-2-4-7-13;1-2-4-5-3-1;;;/h2-11H,1H3;1-5H;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of cyclopenta-1,3-diene;2-methyl-4-phenyl-1H-inden-1-ide;zirconium(4+);dichloride?
cyclopenta-1,3-diene;2-methyl-4-phenyl-1H-inden-1-ide;zirconium(4+);dichloride has a molecular weight of 432.51 g/mol, XLogP of -0.05, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;2-methyl-4-phenyl-1H-inden-1-ide;zirconium(4+);dichloride is sourced from PubChem (CID 160745870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).