cyclohexylidenezirconium(2+);cyclopenta-1,3-diene;9H-fluoren-9-ide;dichloride

C24H24Cl2Zr-2 — CID 87137180

IUPACcyclohexylidenezirconium(2+);cyclopenta-1,3-diene;9H-fluoren-9-ide;dichloride
SMILES[C-]1=CC=CC1.[Cl-].[Cl-].[Zr+2]=C1CCCCC1.c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.C6H10.C5H5.2ClH.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-4-6-5-3-1;1-2-4-5-3-1;;;/h1-9H;1-5H2;1-3H,4H2;2*1H;/q-1;;-1;;;+2/p-2
InChIKeyCTMWJGCPAXYEPU-UHFFFAOYSA-L
MW474.59 g/mol
LogP0.70
Rot. Bonds

About cyclohexylidenezirconium(2+);cyclopenta-1,3-diene;9H-fluoren-9-ide;dichloride

cyclohexylidenezirconium(2+);cyclopenta-1,3-diene;9H-fluoren-9-ide;dichloride (PubChem CID 87137180) has the molecular formula C24H24Cl2Zr-2 and a molecular weight of 474.59 g/mol. Its IUPAC name is cyclohexylidenezirconium(2+);cyclopenta-1,3-diene;9H-fluoren-9-ide;dichloride.

Molecular Properties

Compound Namecyclohexylidenezirconium(2+);cyclopenta-1,3-diene;9H-fluoren-9-ide;dichloride
PubChem CID87137180
Molecular FormulaC24H24Cl2Zr-2
Molecular Weight474.59 g/mol
Exact Mass472.03
IUPAC Namecyclohexylidenezirconium(2+);cyclopenta-1,3-diene;9H-fluoren-9-ide;dichloride
SMILES[C-]1=CC=CC1.[Cl-].[Cl-].[Zr+2]=C1CCCCC1.c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.C6H10.C5H5.2ClH.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-4-6-5-3-1;1-2-4-5-3-1;;;/h1-9H;1-5H2;1-3H,4H2;2*1H;/q-1;;-1;;;+2/p-2
InChIKeyCTMWJGCPAXYEPU-UHFFFAOYSA-L
XLogP0.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.59
LogP ≤ 50.70
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 cyclohexylidenezirconium(2+);cyclopenta-1,3-diene;9H-fluoren-9-ide;dichloride?
The IUPAC name of cyclohexylidenezirconium(2+);cyclopenta-1,3-diene;9H-fluoren-9-ide;dichloride (CID 87137180) is cyclohexylidenezirconium(2+);cyclopenta-1,3-diene;9H-fluoren-9-ide;dichloride.
What is the SMILES notation for cyclohexylidenezirconium(2+);cyclopenta-1,3-diene;9H-fluoren-9-ide;dichloride?
The canonical SMILES for cyclohexylidenezirconium(2+);cyclopenta-1,3-diene;9H-fluoren-9-ide;dichloride is [C-]1=CC=CC1.[Cl-].[Cl-].[Zr+2]=C1CCCCC1.c1ccc2c(c1)[cH-]c1ccccc12.
What is the InChIKey of cyclohexylidenezirconium(2+);cyclopenta-1,3-diene;9H-fluoren-9-ide;dichloride?
The InChIKey is CTMWJGCPAXYEPU-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H9.C6H10.C5H5.2ClH.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-4-6-5-3-1;1-2-4-5-3-1;;;/h1-9H;1-5H2;1-3H,4H2;2*1H;/q-1;;-1;;;+2/p-2.
What are the key properties of cyclohexylidenezirconium(2+);cyclopenta-1,3-diene;9H-fluoren-9-ide;dichloride?
cyclohexylidenezirconium(2+);cyclopenta-1,3-diene;9H-fluoren-9-ide;dichloride has a molecular weight of 474.59 g/mol, XLogP of 0.70, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylidenezirconium(2+);cyclopenta-1,3-diene;9H-fluoren-9-ide;dichloride is sourced from PubChem (CID 87137180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).