benzene;bis(1H-inden-1-ide);zirconium(4+)

C30H24Zr — CID 22438232

IUPACbenzene;bis(1H-inden-1-ide);zirconium(4+)
SMILES[Zr+4].[c-]1ccccc1.[c-]1ccccc1.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/2C9H7.2C6H5.Zr/c2*1-2-5-9-7-3-6-8(9)4-1;2*1-2-4-6-5-3-1;/h2*1-7H;2*1-5H;/q4*-1;+4
InChIKeyRFWUAZOGAAQMPU-UHFFFAOYSA-N
MW475.75 g/mol
LogP8.09
Rot. Bonds

About benzene;bis(1H-inden-1-ide);zirconium(4+)

benzene;bis(1H-inden-1-ide);zirconium(4+) (PubChem CID 22438232) has the molecular formula C30H24Zr and a molecular weight of 475.75 g/mol. Its IUPAC name is benzene;bis(1H-inden-1-ide);zirconium(4+).

Molecular Properties

Compound Namebenzene;bis(1H-inden-1-ide);zirconium(4+)
PubChem CID22438232
Molecular FormulaC30H24Zr
Molecular Weight475.75 g/mol
Exact Mass474.09
IUPAC Namebenzene;bis(1H-inden-1-ide);zirconium(4+)
SMILES[Zr+4].[c-]1ccccc1.[c-]1ccccc1.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/2C9H7.2C6H5.Zr/c2*1-2-5-9-7-3-6-8(9)4-1;2*1-2-4-6-5-3-1;/h2*1-7H;2*1-5H;/q4*-1;+4
InChIKeyRFWUAZOGAAQMPU-UHFFFAOYSA-N
XLogP8.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.75
LogP ≤ 58.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze benzene;bis(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

benzene;1H-inden-1-ide;phosphane;zirconium(4+);dichloride
CID 172759266
benzene;hafnium(4+);bis(1H-inden-1-ide);dihydrochloride
CID 87518498
benzene;carbanide;hydride;bis(1H-inden-1-ide);zirconium
CID 173237119
CID 87676072
CID 87676072
CID 173266360
CID 173266360
CID 173267567
CID 173267567
CID 173317548
CID 173317548
1H-inden-1-ide;zirconium(4+);trichloride
CID 71421360
benzene;carbanide;cyclopenta-1,3-diene;hafnium;1H-inden-1-ide
CID 173309786
dibromozirconium;1H-inden-1-ide
CID 173211982
1H-inden-1-ide;titanium;dihydrochloride
CID 87738152
magnesium;1H-inden-1-ide;bromide
CID 12823996

Frequently Asked Questions

What is the IUPAC name of benzene;bis(1H-inden-1-ide);zirconium(4+)?
The IUPAC name of benzene;bis(1H-inden-1-ide);zirconium(4+) (CID 22438232) is benzene;bis(1H-inden-1-ide);zirconium(4+).
What is the SMILES notation for benzene;bis(1H-inden-1-ide);zirconium(4+)?
The canonical SMILES for benzene;bis(1H-inden-1-ide);zirconium(4+) is [Zr+4].[c-]1ccccc1.[c-]1ccccc1.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.
What is the InChIKey of benzene;bis(1H-inden-1-ide);zirconium(4+)?
The InChIKey is RFWUAZOGAAQMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H7.2C6H5.Zr/c2*1-2-5-9-7-3-6-8(9)4-1;2*1-2-4-6-5-3-1;/h2*1-7H;2*1-5H;/q4*-1;+4.
What are the key properties of benzene;bis(1H-inden-1-ide);zirconium(4+)?
benzene;bis(1H-inden-1-ide);zirconium(4+) has a molecular weight of 475.75 g/mol, XLogP of 8.09, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;bis(1H-inden-1-ide);zirconium(4+) is sourced from PubChem (CID 22438232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).