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

C21H21Cl2Zr-3 — CID 86749727

IUPACcyclopenta-1,3-diene;9H-fluoren-9-ide;propane;zirconium(2+);dichloride
SMILESC[CH-]C.[C-]1=CC=CC1.[Cl-].[Cl-].[Zr+2].c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.C5H5.C3H7.2ClH.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-4-5-3-1;1-3-2;;;/h1-9H;1-3H,4H2;3H,1-2H3;2*1H;/q3*-1;;;+2/p-2
InChIKeyNRFDTFFRHWSQQE-UHFFFAOYSA-L
MW435.53 g/mol
LogP0.25
Rot. Bonds

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

cyclopenta-1,3-diene;9H-fluoren-9-ide;propane;zirconium(2+);dichloride (PubChem CID 86749727) has the molecular formula C21H21Cl2Zr-3 and a molecular weight of 435.53 g/mol. Its IUPAC name is cyclopenta-1,3-diene;9H-fluoren-9-ide;propane;zirconium(2+);dichloride.

Molecular Properties

Compound Namecyclopenta-1,3-diene;9H-fluoren-9-ide;propane;zirconium(2+);dichloride
PubChem CID86749727
Molecular FormulaC21H21Cl2Zr-3
Molecular Weight435.53 g/mol
Exact Mass433.01
IUPAC Namecyclopenta-1,3-diene;9H-fluoren-9-ide;propane;zirconium(2+);dichloride
SMILESC[CH-]C.[C-]1=CC=CC1.[Cl-].[Cl-].[Zr+2].c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.C5H5.C3H7.2ClH.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-4-5-3-1;1-3-2;;;/h1-9H;1-3H,4H2;3H,1-2H3;2*1H;/q3*-1;;;+2/p-2
InChIKeyNRFDTFFRHWSQQE-UHFFFAOYSA-L
XLogP0.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 50.25
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 cyclopenta-1,3-diene;9H-fluoren-9-ide;propane;zirconium(2+);dichloride?
The IUPAC name of cyclopenta-1,3-diene;9H-fluoren-9-ide;propane;zirconium(2+);dichloride (CID 86749727) is cyclopenta-1,3-diene;9H-fluoren-9-ide;propane;zirconium(2+);dichloride.
What is the SMILES notation for cyclopenta-1,3-diene;9H-fluoren-9-ide;propane;zirconium(2+);dichloride?
The canonical SMILES for cyclopenta-1,3-diene;9H-fluoren-9-ide;propane;zirconium(2+);dichloride is C[CH-]C.[C-]1=CC=CC1.[Cl-].[Cl-].[Zr+2].c1ccc2c(c1)[cH-]c1ccccc12.
What is the InChIKey of cyclopenta-1,3-diene;9H-fluoren-9-ide;propane;zirconium(2+);dichloride?
The InChIKey is NRFDTFFRHWSQQE-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H9.C5H5.C3H7.2ClH.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-4-5-3-1;1-3-2;;;/h1-9H;1-3H,4H2;3H,1-2H3;2*1H;/q3*-1;;;+2/p-2.
What are the key properties of cyclopenta-1,3-diene;9H-fluoren-9-ide;propane;zirconium(2+);dichloride?
cyclopenta-1,3-diene;9H-fluoren-9-ide;propane;zirconium(2+);dichloride has a molecular weight of 435.53 g/mol, XLogP of 0.25, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;9H-fluoren-9-ide;propane;zirconium(2+);dichloride is sourced from PubChem (CID 86749727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).