3-benzyl-1H-inden-1-ide;hafnium;dichloride

C16H13Cl2Hf-3 — CID 87620240

IUPAC3-benzyl-1H-inden-1-ide;hafnium;dichloride
SMILES[Cl-].[Cl-].[Hf].c1ccc(Cc2c[cH-]c3ccccc23)cc1
InChIInChI=1S/C16H13.2ClH.Hf/c1-2-6-13(7-3-1)12-15-11-10-14-8-4-5-9-16(14)15;;;/h1-11H,12H2;2*1H;/q-1;;;/p-2
InChIKeyQZOPTIKPYLCFHP-UHFFFAOYSA-L
MW454.68 g/mol
LogP-1.85
Rot. Bonds2

About 3-benzyl-1H-inden-1-ide;hafnium;dichloride

3-benzyl-1H-inden-1-ide;hafnium;dichloride (PubChem CID 87620240) has the molecular formula C16H13Cl2Hf-3 and a molecular weight of 454.68 g/mol. Its IUPAC name is 3-benzyl-1H-inden-1-ide;hafnium;dichloride.

Molecular Properties

Compound Name3-benzyl-1H-inden-1-ide;hafnium;dichloride
PubChem CID87620240
Molecular FormulaC16H13Cl2Hf-3
Molecular Weight454.68 g/mol
Exact Mass454.99
IUPAC Name3-benzyl-1H-inden-1-ide;hafnium;dichloride
SMILES[Cl-].[Cl-].[Hf].c1ccc(Cc2c[cH-]c3ccccc23)cc1
InChIInChI=1S/C16H13.2ClH.Hf/c1-2-6-13(7-3-1)12-15-11-10-14-8-4-5-9-16(14)15;;;/h1-11H,12H2;2*1H;/q-1;;;/p-2
InChIKeyQZOPTIKPYLCFHP-UHFFFAOYSA-L
XLogP-1.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.68
LogP ≤ 5-1.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 3-benzyl-1H-inden-1-ide;hafnium;dichloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(3-benzyl-1H-inden-1-ide);bis(dimethylsilylidenehafnium(2+));bis(1H-inden-1-ide);dihydrochloride
CID 173121752
3-butyl-1H-inden-1-ide;zirconium(3+);dichloride
CID 159056946
CID 173198329
CID 173198329
hafnium;3-methyl-1H-inden-1-ide;dichloride
CID 89420354
bis(3-methyl-1H-inden-1-ide);bis(zirconium(2+));dichloride
CID 18474436
phenyl(113C)methylbenzene
CID 11194569
1-benzylnaphthalene;N-methylmethanamine
CID 70612820
1,4,5,8-tetrabenzylanthracene-9,10-dione
CID 175027629
(2-benzylphenyl)-oxosulfanium
CID 174505158
(2-benzylphenyl) formate
CID 146231957
benzylbenzene;methoxymethane
CID 161110966
N,2-diphenyl-N-(2-phenylacetyl)acetamide
CID 23298384

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1H-inden-1-ide;hafnium;dichloride?
The IUPAC name of 3-benzyl-1H-inden-1-ide;hafnium;dichloride (CID 87620240) is 3-benzyl-1H-inden-1-ide;hafnium;dichloride.
What is the SMILES notation for 3-benzyl-1H-inden-1-ide;hafnium;dichloride?
The canonical SMILES for 3-benzyl-1H-inden-1-ide;hafnium;dichloride is [Cl-].[Cl-].[Hf].c1ccc(Cc2c[cH-]c3ccccc23)cc1.
What is the InChIKey of 3-benzyl-1H-inden-1-ide;hafnium;dichloride?
The InChIKey is QZOPTIKPYLCFHP-UHFFFAOYSA-L. The full InChI is InChI=1S/C16H13.2ClH.Hf/c1-2-6-13(7-3-1)12-15-11-10-14-8-4-5-9-16(14)15;;;/h1-11H,12H2;2*1H;/q-1;;;/p-2.
What are the key properties of 3-benzyl-1H-inden-1-ide;hafnium;dichloride?
3-benzyl-1H-inden-1-ide;hafnium;dichloride has a molecular weight of 454.68 g/mol, XLogP of -1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1H-inden-1-ide;hafnium;dichloride is sourced from PubChem (CID 87620240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).