4,6-dimethyl-1H-inden-1-ide;9H-fluoren-9-ide;zirconium(4+);dichloride

C24H20Cl2Zr — CID 87557207

IUPAC4,6-dimethyl-1H-inden-1-ide;9H-fluoren-9-ide;zirconium(4+);dichloride
SMILESCc1cc(C)c2cc[cH-]c2c1.[Cl-].[Cl-].[Zr+4].c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.C11H11.2ClH.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-8-6-9(2)11-5-3-4-10(11)7-8;;;/h1-9H;3-7H,1-2H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyJMGBOLUVRHMEBA-UHFFFAOYSA-L
MW470.55 g/mol
LogP0.89
Rot. Bonds

About 4,6-dimethyl-1H-inden-1-ide;9H-fluoren-9-ide;zirconium(4+);dichloride

4,6-dimethyl-1H-inden-1-ide;9H-fluoren-9-ide;zirconium(4+);dichloride (PubChem CID 87557207) has the molecular formula C24H20Cl2Zr and a molecular weight of 470.55 g/mol. Its IUPAC name is 4,6-dimethyl-1H-inden-1-ide;9H-fluoren-9-ide;zirconium(4+);dichloride.

Molecular Properties

Compound Name4,6-dimethyl-1H-inden-1-ide;9H-fluoren-9-ide;zirconium(4+);dichloride
PubChem CID87557207
Molecular FormulaC24H20Cl2Zr
Molecular Weight470.55 g/mol
Exact Mass468.00
IUPAC Name4,6-dimethyl-1H-inden-1-ide;9H-fluoren-9-ide;zirconium(4+);dichloride
SMILESCc1cc(C)c2cc[cH-]c2c1.[Cl-].[Cl-].[Zr+4].c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.C11H11.2ClH.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-8-6-9(2)11-5-3-4-10(11)7-8;;;/h1-9H;3-7H,1-2H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyJMGBOLUVRHMEBA-UHFFFAOYSA-L
XLogP0.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 50.89
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

tris(4,6-dimethyl-1H-inden-1-ide);tris(titanium(2+));trichloride
CID 19696940
CID 172782986
CID 172782986
CID 173309894
CID 173309894
CID 173309893
CID 173309893
ethane;bis(9H-fluoren-9-ide);zirconium(2+)
CID 23215639
tris(4-methyl-1H-inden-1-ide);tris(titanium(2+));tribromide
CID 19696980
CID 158657616
CID 158657616
butane;9H-fluoren-9-ide;1H-inden-1-ide;zirconium(4+)
CID 173019923
ethene;9H-fluoren-9-ide;hafnium;bis(1H-inden-1-ide)
CID 173236911
CID 173237181
CID 173237181
CID 173225769
CID 173225769
hafnium;3-methyl-1H-inden-1-ide;dichloride
CID 89420354

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1H-inden-1-ide;9H-fluoren-9-ide;zirconium(4+);dichloride?
The IUPAC name of 4,6-dimethyl-1H-inden-1-ide;9H-fluoren-9-ide;zirconium(4+);dichloride (CID 87557207) is 4,6-dimethyl-1H-inden-1-ide;9H-fluoren-9-ide;zirconium(4+);dichloride.
What is the SMILES notation for 4,6-dimethyl-1H-inden-1-ide;9H-fluoren-9-ide;zirconium(4+);dichloride?
The canonical SMILES for 4,6-dimethyl-1H-inden-1-ide;9H-fluoren-9-ide;zirconium(4+);dichloride is Cc1cc(C)c2cc[cH-]c2c1.[Cl-].[Cl-].[Zr+4].c1ccc2c(c1)[cH-]c1ccccc12.
What is the InChIKey of 4,6-dimethyl-1H-inden-1-ide;9H-fluoren-9-ide;zirconium(4+);dichloride?
The InChIKey is JMGBOLUVRHMEBA-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H9.C11H11.2ClH.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-8-6-9(2)11-5-3-4-10(11)7-8;;;/h1-9H;3-7H,1-2H3;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of 4,6-dimethyl-1H-inden-1-ide;9H-fluoren-9-ide;zirconium(4+);dichloride?
4,6-dimethyl-1H-inden-1-ide;9H-fluoren-9-ide;zirconium(4+);dichloride has a molecular weight of 470.55 g/mol, XLogP of 0.89, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1H-inden-1-ide;9H-fluoren-9-ide;zirconium(4+);dichloride is sourced from PubChem (CID 87557207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).