bis(4,7-dimethyl-1H-inden-1-ide);methylidenehafnium(2+);dichloride

C23H24Cl2Hf-2 — CID 159766083

IUPACbis(4,7-dimethyl-1H-inden-1-ide);methylidenehafnium(2+);dichloride
SMILESC=[Hf+2].Cc1ccc(C)c2[cH-]ccc12.Cc1ccc(C)c2[cH-]ccc12.[Cl-].[Cl-]
InChIInChI=1S/2C11H11.CH2.2ClH.Hf/c2*1-8-6-7-9(2)11-5-3-4-10(8)11;;;;/h2*3-7H,1-2H3;1H2;2*1H;/q2*-1;;;;+2/p-2
InChIKeyQGOFBKHLKKRBHP-UHFFFAOYSA-L
MW549.84 g/mol
LogP0.32
Rot. Bonds

About bis(4,7-dimethyl-1H-inden-1-ide);methylidenehafnium(2+);dichloride

bis(4,7-dimethyl-1H-inden-1-ide);methylidenehafnium(2+);dichloride (PubChem CID 159766083) has the molecular formula C23H24Cl2Hf-2 and a molecular weight of 549.84 g/mol. Its IUPAC name is bis(4,7-dimethyl-1H-inden-1-ide);methylidenehafnium(2+);dichloride.

Molecular Properties

Compound Namebis(4,7-dimethyl-1H-inden-1-ide);methylidenehafnium(2+);dichloride
PubChem CID159766083
Molecular FormulaC23H24Cl2Hf-2
Molecular Weight549.84 g/mol
Exact Mass550.07
IUPAC Namebis(4,7-dimethyl-1H-inden-1-ide);methylidenehafnium(2+);dichloride
SMILESC=[Hf+2].Cc1ccc(C)c2[cH-]ccc12.Cc1ccc(C)c2[cH-]ccc12.[Cl-].[Cl-]
InChIInChI=1S/2C11H11.CH2.2ClH.Hf/c2*1-8-6-7-9(2)11-5-3-4-10(8)11;;;;/h2*3-7H,1-2H3;1H2;2*1H;/q2*-1;;;;+2/p-2
InChIKeyQGOFBKHLKKRBHP-UHFFFAOYSA-L
XLogP0.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.84
LogP ≤ 50.32
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 151166437
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bis(4,7-dimethyl-1H-inden-1-ide);dimethylsilylidenehafnium(2+)
CID 175999489
CID 173002621
CID 173002621
4,7-dimethyl-1H-inden-1-ide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium(4+);dichloride
CID 175762444
CID 173001615
CID 173001615
4,7-dimethyl-1H-inden-1-ide;1,2,3,5-tetramethyl-4-propylcyclopenta-1,3-diene;zirconium(4+);diiodide
CID 172780539
4,7-dimethyl-1H-inden-1-ide;4,7-di(propan-2-yl)-1,2-dihydroinden-2-ide;propan-2-ylidenehafnium(2+)
CID 173243960
bis(4,7-dimethyl-1H-inden-1-ide);bis(1H-inden-1-id-2-yl-bis(2-methylpropyl)phosphane);bis(titanium(2+));dichloride
CID 21095973
4,7-dimethyl-1H-inden-1-ide;inden-1-id-1-yl-(2-methylphenyl)phosphane;titanium(2+)
CID 21096442
bis(di(butan-2-yl)-(1H-inden-1-id-2-yl)phosphane);bis(4,7-dimethyl-1H-inden-1-ide);bis(zirconium(2+));dichloride
CID 21096367
4,7-dimethyl-1H-inden-1-ide;hafnium;1H-inden-1-id-2-yl-(2-methylphenyl)phosphane
CID 87830434

Frequently Asked Questions

What is the IUPAC name of bis(4,7-dimethyl-1H-inden-1-ide);methylidenehafnium(2+);dichloride?
The IUPAC name of bis(4,7-dimethyl-1H-inden-1-ide);methylidenehafnium(2+);dichloride (CID 159766083) is bis(4,7-dimethyl-1H-inden-1-ide);methylidenehafnium(2+);dichloride.
What is the SMILES notation for bis(4,7-dimethyl-1H-inden-1-ide);methylidenehafnium(2+);dichloride?
The canonical SMILES for bis(4,7-dimethyl-1H-inden-1-ide);methylidenehafnium(2+);dichloride is C=[Hf+2].Cc1ccc(C)c2[cH-]ccc12.Cc1ccc(C)c2[cH-]ccc12.[Cl-].[Cl-].
What is the InChIKey of bis(4,7-dimethyl-1H-inden-1-ide);methylidenehafnium(2+);dichloride?
The InChIKey is QGOFBKHLKKRBHP-UHFFFAOYSA-L. The full InChI is InChI=1S/2C11H11.CH2.2ClH.Hf/c2*1-8-6-7-9(2)11-5-3-4-10(8)11;;;;/h2*3-7H,1-2H3;1H2;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of bis(4,7-dimethyl-1H-inden-1-ide);methylidenehafnium(2+);dichloride?
bis(4,7-dimethyl-1H-inden-1-ide);methylidenehafnium(2+);dichloride has a molecular weight of 549.84 g/mol, XLogP of 0.32, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4,7-dimethyl-1H-inden-1-ide);methylidenehafnium(2+);dichloride is sourced from PubChem (CID 159766083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).