1,9-dihydrofluoren-1-ide;1-propan-2-ylcyclopenta-1,3-diene;zirconium(4+);dichloride

C21H20Cl2Zr — CID 158910709

IUPAC1,9-dihydrofluoren-1-ide;1-propan-2-ylcyclopenta-1,3-diene;zirconium(4+);dichloride
SMILESCC(C)c1ccc[cH-]1.[Cl-].[Cl-].[Zr+4].[c-]1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C13H9.C8H11.2ClH.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-7(2)8-5-3-4-6-8;;;/h1-5,7-8H,9H2;3-7H,1-2H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyRTFKQLKVUNIYMV-UHFFFAOYSA-L
MW434.52 g/mol
LogP-0.41
Rot. Bonds1

About 1,9-dihydrofluoren-1-ide;1-propan-2-ylcyclopenta-1,3-diene;zirconium(4+);dichloride

1,9-dihydrofluoren-1-ide;1-propan-2-ylcyclopenta-1,3-diene;zirconium(4+);dichloride (PubChem CID 158910709) has the molecular formula C21H20Cl2Zr and a molecular weight of 434.52 g/mol. Its IUPAC name is 1,9-dihydrofluoren-1-ide;1-propan-2-ylcyclopenta-1,3-diene;zirconium(4+);dichloride.

Molecular Properties

Compound Name1,9-dihydrofluoren-1-ide;1-propan-2-ylcyclopenta-1,3-diene;zirconium(4+);dichloride
PubChem CID158910709
Molecular FormulaC21H20Cl2Zr
Molecular Weight434.52 g/mol
Exact Mass432.00
IUPAC Name1,9-dihydrofluoren-1-ide;1-propan-2-ylcyclopenta-1,3-diene;zirconium(4+);dichloride
SMILESCC(C)c1ccc[cH-]1.[Cl-].[Cl-].[Zr+4].[c-]1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C13H9.C8H11.2ClH.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-7(2)8-5-3-4-6-8;;;/h1-5,7-8H,9H2;3-7H,1-2H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyRTFKQLKVUNIYMV-UHFFFAOYSA-L
XLogP-0.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 5-0.41
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

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CID 159626377
CID 159626377
bis(1,9-dihydrofluoren-1-ide);dimethylgermylidenezirconium(2+);dichloride
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carbanide;bis(1,9-dihydrofluoren-1-ide);dimethylsilylidenezirconium
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CID 154493054
CID 154493054
cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;methylidenehafnium(2+);dichloride
CID 161299506
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CID 160913737

Frequently Asked Questions

What is the IUPAC name of 1,9-dihydrofluoren-1-ide;1-propan-2-ylcyclopenta-1,3-diene;zirconium(4+);dichloride?
The IUPAC name of 1,9-dihydrofluoren-1-ide;1-propan-2-ylcyclopenta-1,3-diene;zirconium(4+);dichloride (CID 158910709) is 1,9-dihydrofluoren-1-ide;1-propan-2-ylcyclopenta-1,3-diene;zirconium(4+);dichloride.
What is the SMILES notation for 1,9-dihydrofluoren-1-ide;1-propan-2-ylcyclopenta-1,3-diene;zirconium(4+);dichloride?
The canonical SMILES for 1,9-dihydrofluoren-1-ide;1-propan-2-ylcyclopenta-1,3-diene;zirconium(4+);dichloride is CC(C)c1ccc[cH-]1.[Cl-].[Cl-].[Zr+4].[c-]1cccc2c1Cc1ccccc1-2.
What is the InChIKey of 1,9-dihydrofluoren-1-ide;1-propan-2-ylcyclopenta-1,3-diene;zirconium(4+);dichloride?
The InChIKey is RTFKQLKVUNIYMV-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H9.C8H11.2ClH.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-7(2)8-5-3-4-6-8;;;/h1-5,7-8H,9H2;3-7H,1-2H3;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of 1,9-dihydrofluoren-1-ide;1-propan-2-ylcyclopenta-1,3-diene;zirconium(4+);dichloride?
1,9-dihydrofluoren-1-ide;1-propan-2-ylcyclopenta-1,3-diene;zirconium(4+);dichloride has a molecular weight of 434.52 g/mol, XLogP of -0.41, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-dihydrofluoren-1-ide;1-propan-2-ylcyclopenta-1,3-diene;zirconium(4+);dichloride is sourced from PubChem (CID 158910709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).