cyclopenta-1,3-diene;2H-indeno[1,2-g]indol-1-ide;zirconium(2+)

C20H15NZr — CID 87773413

IUPACcyclopenta-1,3-diene;2H-indeno[1,2-g]indol-1-ide;zirconium(2+)
SMILESC1=c2ccc3c(c2[N-]C1)C=c1ccccc1=3.[C-]1=CC=CC1.[Zr+2]
InChIInChI=1S/C15H10N.C5H5.Zr/c1-2-4-12-11(3-1)9-14-13(12)6-5-10-7-8-16-15(10)14;1-2-4-5-3-1;/h1-7,9H,8H2;1-3H,4H2;/q2*-1;+2
InChIKeyXYULFWOWSGEZEM-UHFFFAOYSA-N
MW360.57 g/mol
LogP3.22
Rot. Bonds

About cyclopenta-1,3-diene;2H-indeno[1,2-g]indol-1-ide;zirconium(2+)

cyclopenta-1,3-diene;2H-indeno[1,2-g]indol-1-ide;zirconium(2+) (PubChem CID 87773413) has the molecular formula C20H15NZr and a molecular weight of 360.57 g/mol. Its IUPAC name is cyclopenta-1,3-diene;2H-indeno[1,2-g]indol-1-ide;zirconium(2+).

Molecular Properties

Compound Namecyclopenta-1,3-diene;2H-indeno[1,2-g]indol-1-ide;zirconium(2+)
PubChem CID87773413
Molecular FormulaC20H15NZr
Molecular Weight360.57 g/mol
Exact Mass359.03
IUPAC Namecyclopenta-1,3-diene;2H-indeno[1,2-g]indol-1-ide;zirconium(2+)
SMILESC1=c2ccc3c(c2[N-]C1)C=c1ccccc1=3.[C-]1=CC=CC1.[Zr+2]
InChIInChI=1S/C15H10N.C5H5.Zr/c1-2-4-12-11(3-1)9-14-13(12)6-5-10-7-8-16-15(10)14;1-2-4-5-3-1;/h1-7,9H,8H2;1-3H,4H2;/q2*-1;+2
InChIKeyXYULFWOWSGEZEM-UHFFFAOYSA-N
XLogP3.22
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.57
LogP ≤ 53.22
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;2H-indeno[1,2-g]indol-1-ide;zirconium(2+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;2H-indeno[1,2-g]indol-1-ide;zirconium(2+)?
The IUPAC name of cyclopenta-1,3-diene;2H-indeno[1,2-g]indol-1-ide;zirconium(2+) (CID 87773413) is cyclopenta-1,3-diene;2H-indeno[1,2-g]indol-1-ide;zirconium(2+).
What is the SMILES notation for cyclopenta-1,3-diene;2H-indeno[1,2-g]indol-1-ide;zirconium(2+)?
The canonical SMILES for cyclopenta-1,3-diene;2H-indeno[1,2-g]indol-1-ide;zirconium(2+) is C1=c2ccc3c(c2[N-]C1)C=c1ccccc1=3.[C-]1=CC=CC1.[Zr+2].
What is the InChIKey of cyclopenta-1,3-diene;2H-indeno[1,2-g]indol-1-ide;zirconium(2+)?
The InChIKey is XYULFWOWSGEZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N.C5H5.Zr/c1-2-4-12-11(3-1)9-14-13(12)6-5-10-7-8-16-15(10)14;1-2-4-5-3-1;/h1-7,9H,8H2;1-3H,4H2;/q2*-1;+2.
What are the key properties of cyclopenta-1,3-diene;2H-indeno[1,2-g]indol-1-ide;zirconium(2+)?
cyclopenta-1,3-diene;2H-indeno[1,2-g]indol-1-ide;zirconium(2+) has a molecular weight of 360.57 g/mol, XLogP of 3.22, 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;2H-indeno[1,2-g]indol-1-ide;zirconium(2+) is sourced from PubChem (CID 87773413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).