cyclopenta-1,3-diene;1H-inden-1-ide;zirconium(4+)

C14H12Zr+2 — CID 175934824

IUPACcyclopenta-1,3-diene;1H-inden-1-ide;zirconium(4+)
SMILES[Zr+4].c1cc[cH-]c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.C5H5.Zr/c1-2-5-9-7-3-6-8(9)4-1;1-2-4-5-3-1;/h1-7H;1-5H;/q2*-1;+4
InChIKeyDJNXLYQLJMPXPD-UHFFFAOYSA-N
MW271.47 g/mol
LogP3.96
Rot. Bonds

About cyclopenta-1,3-diene;1H-inden-1-ide;zirconium(4+)

cyclopenta-1,3-diene;1H-inden-1-ide;zirconium(4+) (PubChem CID 175934824) has the molecular formula C14H12Zr+2 and a molecular weight of 271.47 g/mol. Its IUPAC name is cyclopenta-1,3-diene;1H-inden-1-ide;zirconium(4+).

Molecular Properties

Compound Namecyclopenta-1,3-diene;1H-inden-1-ide;zirconium(4+)
PubChem CID175934824
Molecular FormulaC14H12Zr+2
Molecular Weight271.47 g/mol
Exact Mass270.00
IUPAC Namecyclopenta-1,3-diene;1H-inden-1-ide;zirconium(4+)
SMILES[Zr+4].c1cc[cH-]c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.C5H5.Zr/c1-2-5-9-7-3-6-8(9)4-1;1-2-4-5-3-1;/h1-7H;1-5H;/q2*-1;+4
InChIKeyDJNXLYQLJMPXPD-UHFFFAOYSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.47
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze cyclopenta-1,3-diene;1H-inden-1-ide;zirconium(4+) 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

cyclopenta-1,3-diene;1H-inden-1-ide;titanium(2+)
CID 154419987
carbanide;cyclopenta-1,3-diene;1H-inden-1-ide;iron
CID 176655072
carbanide;cyclopenta-1,3-diene;1H-inden-1-ide;titanium(4+)
CID 15303001
carbanide;cyclopenta-1,3-diene;hafnium(4+);1H-inden-1-ide
CID 148548337
cyclopenta-1,3-diene;difluorozirconium(2+);1H-inden-1-ide
CID 141083945
cyclopenta-1,3-diene;dichlorozirconium(2+);1H-inden-1-ide
CID 15397844
1H-inden-1-ide;zirconium(4+);trichloride
CID 71421360
cyclopenta-1,3-diene;dimethylgermylidenezirconium(2+);1H-inden-1-ide;dichloride
CID 158276689
cyclopenta-1,3-diene;1H-inden-1-ide;phenylmethanone;zirconium(4+);dihydrochloride
CID 172725766
1H-inden-1-ide;titanium;dihydrochloride
CID 87738152
1H-inden-1-ide;titanium(3+);difluoride
CID 87792956
magnesium;1H-inden-1-ide;bromide
CID 12823996

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;1H-inden-1-ide;zirconium(4+)?
The IUPAC name of cyclopenta-1,3-diene;1H-inden-1-ide;zirconium(4+) (CID 175934824) is cyclopenta-1,3-diene;1H-inden-1-ide;zirconium(4+).
What is the SMILES notation for cyclopenta-1,3-diene;1H-inden-1-ide;zirconium(4+)?
The canonical SMILES for cyclopenta-1,3-diene;1H-inden-1-ide;zirconium(4+) is [Zr+4].c1cc[cH-]c1.c1ccc2[cH-]ccc2c1.
What is the InChIKey of cyclopenta-1,3-diene;1H-inden-1-ide;zirconium(4+)?
The InChIKey is DJNXLYQLJMPXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7.C5H5.Zr/c1-2-5-9-7-3-6-8(9)4-1;1-2-4-5-3-1;/h1-7H;1-5H;/q2*-1;+4.
What are the key properties of cyclopenta-1,3-diene;1H-inden-1-ide;zirconium(4+)?
cyclopenta-1,3-diene;1H-inden-1-ide;zirconium(4+) has a molecular weight of 271.47 g/mol, XLogP of 3.96, 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;1H-inden-1-ide;zirconium(4+) is sourced from PubChem (CID 175934824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).