benzhydrylidenezirconium(2+);9H-fluoren-9-ide;dichloride

C26H19Cl2Zr- — CID 160997041

IUPACbenzhydrylidenezirconium(2+);9H-fluoren-9-ide;dichloride
SMILES[Cl-].[Cl-].[Zr+2]=C(c1ccccc1)c1ccccc1.c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.C13H10.2ClH.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;;;/h1-9H;1-10H;2*1H;/q-1;;;;+2/p-2
InChIKeyAFLXZSFWDHOUBV-UHFFFAOYSA-L
MW493.57 g/mol
LogP0.52
Rot. Bonds2

About benzhydrylidenezirconium(2+);9H-fluoren-9-ide;dichloride

benzhydrylidenezirconium(2+);9H-fluoren-9-ide;dichloride (PubChem CID 160997041) has the molecular formula C26H19Cl2Zr- and a molecular weight of 493.57 g/mol. Its IUPAC name is benzhydrylidenezirconium(2+);9H-fluoren-9-ide;dichloride.

Molecular Properties

Compound Namebenzhydrylidenezirconium(2+);9H-fluoren-9-ide;dichloride
PubChem CID160997041
Molecular FormulaC26H19Cl2Zr-
Molecular Weight493.57 g/mol
Exact Mass490.99
IUPAC Namebenzhydrylidenezirconium(2+);9H-fluoren-9-ide;dichloride
SMILES[Cl-].[Cl-].[Zr+2]=C(c1ccccc1)c1ccccc1.c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.C13H10.2ClH.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;;;/h1-9H;1-10H;2*1H;/q-1;;;;+2/p-2
InChIKeyAFLXZSFWDHOUBV-UHFFFAOYSA-L
XLogP0.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.57
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze benzhydrylidenezirconium(2+);9H-fluoren-9-ide;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

benzhydrylidenezirconium(2+);cyclopenta-1,3-diene;9H-fluoren-9-ide;dihydrochloride
CID 172770329
benzhydrylidenezirconium(2+);cyclopenta-1,3-diene;9H-fluoren-9-ide;chloride
CID 23363370
bis(benzhydrylidenezirconium(2+));bis(cyclopenta-1,4-dien-1-ylbenzene);bis(9H-fluoren-9-ide);dichloride
CID 22910387
benzhydrylidenezirconium(2+);9H-fluoren-9-ide;5-methyl-1H-inden-1-ide;dichloride
CID 87447331
benzhydrylidenezirconium(2+);2-ethylcyclopenta-1,3-diene;9H-fluoren-9-ide;dichloride
CID 87109309
bis(benzhydrylidenezirconium(2+));bis(9H-fluoren-9-ide);bis(2-methylcyclopenta-1,3-diene);difluoride
CID 18365689
benzhydrylidenezirconium(2+);9H-fluoren-9-ide;2-propan-2-ylcyclopenta-1,3-diene;difluoride
CID 158610176
bis(benzhydrylidenezirconium(2+));bis(9H-fluoren-9-ide);bis(2-propylcyclopenta-1,3-diene);dichloride
CID 23032128
benzhydrylidenezirconium(2+);6,7-dimethyl-1H-inden-1-ide;9H-fluoren-9-ide
CID 173229693
benzhydrylidenezirconium(2+);9H-fluoren-9-ide;1,2,5-triethylcyclopenta-1,3-diene;dichloride
CID 87204911
benzhydrylidenezirconium(2+);1-cyclopenta-1,4-dien-1-yl-2,3,4,5,6-pentafluorobenzene;9H-fluoren-9-ide
CID 140664283
benzhydrylidenezirconium;cyclopenta-1,3-diene;9H-fluoren-9-ide;chloride
CID 159016680

Frequently Asked Questions

What is the IUPAC name of benzhydrylidenezirconium(2+);9H-fluoren-9-ide;dichloride?
The IUPAC name of benzhydrylidenezirconium(2+);9H-fluoren-9-ide;dichloride (CID 160997041) is benzhydrylidenezirconium(2+);9H-fluoren-9-ide;dichloride.
What is the SMILES notation for benzhydrylidenezirconium(2+);9H-fluoren-9-ide;dichloride?
The canonical SMILES for benzhydrylidenezirconium(2+);9H-fluoren-9-ide;dichloride is [Cl-].[Cl-].[Zr+2]=C(c1ccccc1)c1ccccc1.c1ccc2c(c1)[cH-]c1ccccc12.
What is the InChIKey of benzhydrylidenezirconium(2+);9H-fluoren-9-ide;dichloride?
The InChIKey is AFLXZSFWDHOUBV-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H9.C13H10.2ClH.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;;;/h1-9H;1-10H;2*1H;/q-1;;;;+2/p-2.
What are the key properties of benzhydrylidenezirconium(2+);9H-fluoren-9-ide;dichloride?
benzhydrylidenezirconium(2+);9H-fluoren-9-ide;dichloride has a molecular weight of 493.57 g/mol, XLogP of 0.52, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydrylidenezirconium(2+);9H-fluoren-9-ide;dichloride is sourced from PubChem (CID 160997041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).