tris(cyclopenta-1,3-diene);tris(zirconium(2+));trichloride

C15H15Cl3Zr3 — CID 22239884

IUPACtris(cyclopenta-1,3-diene);tris(zirconium(2+));trichloride
SMILES[C-]1=CC=CC1.[C-]1=CC=CC1.[C-]1=CC=CC1.[Cl-].[Cl-].[Cl-].[Zr+2].[Zr+2].[Zr+2]
InChIInChI=1S/3C5H5.3ClH.3Zr/c3*1-2-4-5-3-1;;;;;;/h3*1-3H,4H2;3*1H;;;/q3*-1;;;;3*+2/p-3
InChIKeyCTTOGXKIOJFAHL-UHFFFAOYSA-K
MW575.32 g/mol
LogP-5.08
Rot. Bonds

About tris(cyclopenta-1,3-diene);tris(zirconium(2+));trichloride

tris(cyclopenta-1,3-diene);tris(zirconium(2+));trichloride (PubChem CID 22239884) has the molecular formula C15H15Cl3Zr3 and a molecular weight of 575.32 g/mol. Its IUPAC name is tris(cyclopenta-1,3-diene);tris(zirconium(2+));trichloride.

Molecular Properties

Compound Nametris(cyclopenta-1,3-diene);tris(zirconium(2+));trichloride
PubChem CID22239884
Molecular FormulaC15H15Cl3Zr3
Molecular Weight575.32 g/mol
Exact Mass569.74
IUPAC Nametris(cyclopenta-1,3-diene);tris(zirconium(2+));trichloride
SMILES[C-]1=CC=CC1.[C-]1=CC=CC1.[C-]1=CC=CC1.[Cl-].[Cl-].[Cl-].[Zr+2].[Zr+2].[Zr+2]
InChIInChI=1S/3C5H5.3ClH.3Zr/c3*1-2-4-5-3-1;;;;;;/h3*1-3H,4H2;3*1H;;;/q3*-1;;;;3*+2/p-3
InChIKeyCTTOGXKIOJFAHL-UHFFFAOYSA-K
XLogP-5.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500575.32
LogP ≤ 5-5.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze tris(cyclopenta-1,3-diene);tris(zirconium(2+));trichloride 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(cyclopenta-1,3-diene);rhodium(2+);chloride
CID 18934400
cyclopenta-1,3-diene;zirconium(4+);tetrachloride
CID 173166771
hexakis(cyclopenta-1,3-diene);tris(niobium(2+));trichloride
CID 21269223
bis(cyclopenta-1,3-diene);zirconium(2+);dihydrobromide
CID 87133398
carbanide;cyclopenta-1,3-diene;titanium(4+);chloride
CID 87905674
cesium cyclopenta-1,3-diene
CID 18362255
cyclopenta-1,3-diene;iridium(3+)
CID 19920890
bis(cyclopenta-1,3-diene);vanadium(2+)
CID 73455747
cyclopenta-1,3-diene;zirconium(4+)
CID 22421333
tris(cyclopenta-1,3-diene);gold(3+)
CID 174872260
strontium bis(cyclopenta-1,3-diene)
CID 14513562
bis(cyclopenta-1,3-diene);propane;zirconium(2+);dichloride
CID 87557342

Frequently Asked Questions

What is the IUPAC name of tris(cyclopenta-1,3-diene);tris(zirconium(2+));trichloride?
The IUPAC name of tris(cyclopenta-1,3-diene);tris(zirconium(2+));trichloride (CID 22239884) is tris(cyclopenta-1,3-diene);tris(zirconium(2+));trichloride.
What is the SMILES notation for tris(cyclopenta-1,3-diene);tris(zirconium(2+));trichloride?
The canonical SMILES for tris(cyclopenta-1,3-diene);tris(zirconium(2+));trichloride is [C-]1=CC=CC1.[C-]1=CC=CC1.[C-]1=CC=CC1.[Cl-].[Cl-].[Cl-].[Zr+2].[Zr+2].[Zr+2].
What is the InChIKey of tris(cyclopenta-1,3-diene);tris(zirconium(2+));trichloride?
The InChIKey is CTTOGXKIOJFAHL-UHFFFAOYSA-K. The full InChI is InChI=1S/3C5H5.3ClH.3Zr/c3*1-2-4-5-3-1;;;;;;/h3*1-3H,4H2;3*1H;;;/q3*-1;;;;3*+2/p-3.
What are the key properties of tris(cyclopenta-1,3-diene);tris(zirconium(2+));trichloride?
tris(cyclopenta-1,3-diene);tris(zirconium(2+));trichloride has a molecular weight of 575.32 g/mol, XLogP of -5.08, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(cyclopenta-1,3-diene);tris(zirconium(2+));trichloride is sourced from PubChem (CID 22239884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).