dichlorozirconium;5-ethyl-4-(2-propan-2-ylphenyl)-2-propyl-1H-inden-1-ide

C23H27Cl2Zr- — CID 87884069

IUPACdichlorozirconium;5-ethyl-4-(2-propan-2-ylphenyl)-2-propyl-1H-inden-1-ide
SMILESCCCc1cc2c(-c3ccccc3C(C)C)c(CC)ccc2[cH-]1.Cl[Zr]Cl
InChIInChI=1S/C23H27.2ClH.Zr/c1-5-9-17-14-19-13-12-18(6-2)23(22(19)15-17)21-11-8-7-10-20(21)16(3)4;;;/h7-8,10-16H,5-6,9H2,1-4H3;2*1H;/q-1;;;+2/p-2
InChIKeyQQDWGJAWFOJSGN-UHFFFAOYSA-L
MW465.60 g/mol
LogP8.24
Rot. Bonds5

About dichlorozirconium;5-ethyl-4-(2-propan-2-ylphenyl)-2-propyl-1H-inden-1-ide

dichlorozirconium;5-ethyl-4-(2-propan-2-ylphenyl)-2-propyl-1H-inden-1-ide (PubChem CID 87884069) has the molecular formula C23H27Cl2Zr- and a molecular weight of 465.60 g/mol. Its IUPAC name is dichlorozirconium;5-ethyl-4-(2-propan-2-ylphenyl)-2-propyl-1H-inden-1-ide.

Molecular Properties

Compound Namedichlorozirconium;5-ethyl-4-(2-propan-2-ylphenyl)-2-propyl-1H-inden-1-ide
PubChem CID87884069
Molecular FormulaC23H27Cl2Zr-
Molecular Weight465.60 g/mol
Exact Mass463.05
IUPAC Namedichlorozirconium;5-ethyl-4-(2-propan-2-ylphenyl)-2-propyl-1H-inden-1-ide
SMILESCCCc1cc2c(-c3ccccc3C(C)C)c(CC)ccc2[cH-]1.Cl[Zr]Cl
InChIInChI=1S/C23H27.2ClH.Zr/c1-5-9-17-14-19-13-12-18(6-2)23(22(19)15-17)21-11-8-7-10-20(21)16(3)4;;;/h7-8,10-16H,5-6,9H2,1-4H3;2*1H;/q-1;;;+2/p-2
InChIKeyQQDWGJAWFOJSGN-UHFFFAOYSA-L
XLogP8.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.60
LogP ≤ 58.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze dichlorozirconium;5-ethyl-4-(2-propan-2-ylphenyl)-2-propyl-1H-inden-1-ide 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 dichlorozirconium;5-ethyl-4-(2-propan-2-ylphenyl)-2-propyl-1H-inden-1-ide?
The IUPAC name of dichlorozirconium;5-ethyl-4-(2-propan-2-ylphenyl)-2-propyl-1H-inden-1-ide (CID 87884069) is dichlorozirconium;5-ethyl-4-(2-propan-2-ylphenyl)-2-propyl-1H-inden-1-ide.
What is the SMILES notation for dichlorozirconium;5-ethyl-4-(2-propan-2-ylphenyl)-2-propyl-1H-inden-1-ide?
The canonical SMILES for dichlorozirconium;5-ethyl-4-(2-propan-2-ylphenyl)-2-propyl-1H-inden-1-ide is CCCc1cc2c(-c3ccccc3C(C)C)c(CC)ccc2[cH-]1.Cl[Zr]Cl.
What is the InChIKey of dichlorozirconium;5-ethyl-4-(2-propan-2-ylphenyl)-2-propyl-1H-inden-1-ide?
The InChIKey is QQDWGJAWFOJSGN-UHFFFAOYSA-L. The full InChI is InChI=1S/C23H27.2ClH.Zr/c1-5-9-17-14-19-13-12-18(6-2)23(22(19)15-17)21-11-8-7-10-20(21)16(3)4;;;/h7-8,10-16H,5-6,9H2,1-4H3;2*1H;/q-1;;;+2/p-2.
What are the key properties of dichlorozirconium;5-ethyl-4-(2-propan-2-ylphenyl)-2-propyl-1H-inden-1-ide?
dichlorozirconium;5-ethyl-4-(2-propan-2-ylphenyl)-2-propyl-1H-inden-1-ide has a molecular weight of 465.60 g/mol, XLogP of 8.24, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorozirconium;5-ethyl-4-(2-propan-2-ylphenyl)-2-propyl-1H-inden-1-ide is sourced from PubChem (CID 87884069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).