dichlorozirconium;2-methyl-4-phenyl-1H-inden-1-ide

C16H13Cl2Zr- — CID 173091185

IUPACdichlorozirconium;2-methyl-4-phenyl-1H-inden-1-ide
SMILESCc1cc2c(-c3ccccc3)cccc2[cH-]1.Cl[Zr]Cl
InChIInChI=1S/C16H13.2ClH.Zr/c1-12-10-14-8-5-9-15(16(14)11-12)13-6-3-2-4-7-13;;;/h2-11H,1H3;2*1H;/q-1;;;+2/p-2
InChIKeyZPTSZMLJHPLZLU-UHFFFAOYSA-L
MW367.41 g/mol
LogP5.91
Rot. Bonds1

About dichlorozirconium;2-methyl-4-phenyl-1H-inden-1-ide

dichlorozirconium;2-methyl-4-phenyl-1H-inden-1-ide (PubChem CID 173091185) has the molecular formula C16H13Cl2Zr- and a molecular weight of 367.41 g/mol. Its IUPAC name is dichlorozirconium;2-methyl-4-phenyl-1H-inden-1-ide.

Molecular Properties

Compound Namedichlorozirconium;2-methyl-4-phenyl-1H-inden-1-ide
PubChem CID173091185
Molecular FormulaC16H13Cl2Zr-
Molecular Weight367.41 g/mol
Exact Mass364.94
IUPAC Namedichlorozirconium;2-methyl-4-phenyl-1H-inden-1-ide
SMILESCc1cc2c(-c3ccccc3)cccc2[cH-]1.Cl[Zr]Cl
InChIInChI=1S/C16H13.2ClH.Zr/c1-12-10-14-8-5-9-15(16(14)11-12)13-6-3-2-4-7-13;;;/h2-11H,1H3;2*1H;/q-1;;;+2/p-2
InChIKeyZPTSZMLJHPLZLU-UHFFFAOYSA-L
XLogP5.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.41
LogP ≤ 55.91
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

hafnium;2-methyl-4-phenyl-1H-inden-1-ide
CID 154081664
dichlorozirconium;2-methyl-4-(4-methylphenyl)-1H-inden-1-ide
CID 173228625
bis(2-methyl-4-phenyl-1H-inden-1-ide);bis(titanium(2+));dichloride
CID 22104595
CID 173284099
CID 173284099
CID 173168918
CID 173168918
CID 150666493
CID 150666493
CID 173337857
CID 173337857
dichlorozirconium;4-(4-ethylphenyl)-2-methyl-1H-inden-1-ide
CID 140997786
CID 87993698
CID 87993698
cyclopenta-1,3-diene;2-methyl-4-phenyl-1H-inden-1-ide;zirconium(4+);dichloride
CID 160745870
CID 173314158
CID 173314158
dimethylsilylidenezirconium(2+);bis(2-methyl-4-(4-phenylphenyl)-1H-inden-1-ide);dichloride
CID 173142029

Frequently Asked Questions

What is the IUPAC name of dichlorozirconium;2-methyl-4-phenyl-1H-inden-1-ide?
The IUPAC name of dichlorozirconium;2-methyl-4-phenyl-1H-inden-1-ide (CID 173091185) is dichlorozirconium;2-methyl-4-phenyl-1H-inden-1-ide.
What is the SMILES notation for dichlorozirconium;2-methyl-4-phenyl-1H-inden-1-ide?
The canonical SMILES for dichlorozirconium;2-methyl-4-phenyl-1H-inden-1-ide is Cc1cc2c(-c3ccccc3)cccc2[cH-]1.Cl[Zr]Cl.
What is the InChIKey of dichlorozirconium;2-methyl-4-phenyl-1H-inden-1-ide?
The InChIKey is ZPTSZMLJHPLZLU-UHFFFAOYSA-L. The full InChI is InChI=1S/C16H13.2ClH.Zr/c1-12-10-14-8-5-9-15(16(14)11-12)13-6-3-2-4-7-13;;;/h2-11H,1H3;2*1H;/q-1;;;+2/p-2.
What are the key properties of dichlorozirconium;2-methyl-4-phenyl-1H-inden-1-ide?
dichlorozirconium;2-methyl-4-phenyl-1H-inden-1-ide has a molecular weight of 367.41 g/mol, XLogP of 5.91, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorozirconium;2-methyl-4-phenyl-1H-inden-1-ide is sourced from PubChem (CID 173091185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).