3H-cyclopenta[a]naphthalen-3-ide;hafnium;dichloride

C13H9Cl2Hf-3 — CID 87618758

IUPAC3H-cyclopenta[a]naphthalen-3-ide;hafnium;dichloride
SMILES[Cl-].[Cl-].[Hf].c1ccc2c(c1)ccc1[cH-]ccc12
InChIInChI=1S/C13H9.2ClH.Hf/c1-2-6-12-10(4-1)8-9-11-5-3-7-13(11)12;;;/h1-9H;2*1H;/q-1;;;/p-2
InChIKeyAKUOLNNRNQZCCD-UHFFFAOYSA-L
MW414.61 g/mol
LogP-2.28
Rot. Bonds

About 3H-cyclopenta[a]naphthalen-3-ide;hafnium;dichloride

3H-cyclopenta[a]naphthalen-3-ide;hafnium;dichloride (PubChem CID 87618758) has the molecular formula C13H9Cl2Hf-3 and a molecular weight of 414.61 g/mol. Its IUPAC name is 3H-cyclopenta[a]naphthalen-3-ide;hafnium;dichloride.

Molecular Properties

Compound Name3H-cyclopenta[a]naphthalen-3-ide;hafnium;dichloride
PubChem CID87618758
Molecular FormulaC13H9Cl2Hf-3
Molecular Weight414.61 g/mol
Exact Mass414.96
IUPAC Name3H-cyclopenta[a]naphthalen-3-ide;hafnium;dichloride
SMILES[Cl-].[Cl-].[Hf].c1ccc2c(c1)ccc1[cH-]ccc12
InChIInChI=1S/C13H9.2ClH.Hf/c1-2-6-12-10(4-1)8-9-11-5-3-7-13(11)12;;;/h1-9H;2*1H;/q-1;;;/p-2
InChIKeyAKUOLNNRNQZCCD-UHFFFAOYSA-L
XLogP-2.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.61
LogP ≤ 5-2.28
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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Frequently Asked Questions

What is the IUPAC name of 3H-cyclopenta[a]naphthalen-3-ide;hafnium;dichloride?
The IUPAC name of 3H-cyclopenta[a]naphthalen-3-ide;hafnium;dichloride (CID 87618758) is 3H-cyclopenta[a]naphthalen-3-ide;hafnium;dichloride.
What is the SMILES notation for 3H-cyclopenta[a]naphthalen-3-ide;hafnium;dichloride?
The canonical SMILES for 3H-cyclopenta[a]naphthalen-3-ide;hafnium;dichloride is [Cl-].[Cl-].[Hf].c1ccc2c(c1)ccc1[cH-]ccc12.
What is the InChIKey of 3H-cyclopenta[a]naphthalen-3-ide;hafnium;dichloride?
The InChIKey is AKUOLNNRNQZCCD-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H9.2ClH.Hf/c1-2-6-12-10(4-1)8-9-11-5-3-7-13(11)12;;;/h1-9H;2*1H;/q-1;;;/p-2.
What are the key properties of 3H-cyclopenta[a]naphthalen-3-ide;hafnium;dichloride?
3H-cyclopenta[a]naphthalen-3-ide;hafnium;dichloride has a molecular weight of 414.61 g/mol, XLogP of -2.28, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-cyclopenta[a]naphthalen-3-ide;hafnium;dichloride is sourced from PubChem (CID 87618758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).