tetrakis(4-(4-bromophenyl)-2-ethyl-1H-inden-1-ide);bis(dimethylsilylidenezirconium(2+));dichloride

C72H68Br4Cl2Si2Zr2-2 — CID 18008261

IUPACtetrakis(4-(4-bromophenyl)-2-ethyl-1H-inden-1-ide);bis(dimethylsilylidenezirconium(2+));dichloride
SMILESCCc1cc2c(-c3ccc(Br)cc3)cccc2[cH-]1.CCc1cc2c(-c3ccc(Br)cc3)cccc2[cH-]1.CCc1cc2c(-c3ccc(Br)cc3)cccc2[cH-]1.CCc1cc2c(-c3ccc(Br)cc3)cccc2[cH-]1.C[Si](C)=[Zr+2].C[Si](C)=[Zr+2].[Cl-].[Cl-]
InChIInChI=1S/4C17H14Br.2C2H6Si.2ClH.2Zr/c4*1-2-12-10-14-4-3-5-16(17(14)11-12)13-6-8-15(18)9-7-13;2*1-3-2;;;;/h4*3-11H,2H2,1H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2
InChIKeyBNUVHYJBEVGDJL-UHFFFAOYSA-L
MW1562.48 g/mol
LogP17.78
Rot. Bonds8

About tetrakis(4-(4-bromophenyl)-2-ethyl-1H-inden-1-ide);bis(dimethylsilylidenezirconium(2+));dichloride

tetrakis(4-(4-bromophenyl)-2-ethyl-1H-inden-1-ide);bis(dimethylsilylidenezirconium(2+));dichloride (PubChem CID 18008261) has the molecular formula C72H68Br4Cl2Si2Zr2-2 and a molecular weight of 1562.48 g/mol. Its IUPAC name is tetrakis(4-(4-bromophenyl)-2-ethyl-1H-inden-1-ide);bis(dimethylsilylidenezirconium(2+));dichloride.

Molecular Properties

Compound Nametetrakis(4-(4-bromophenyl)-2-ethyl-1H-inden-1-ide);bis(dimethylsilylidenezirconium(2+));dichloride
PubChem CID18008261
Molecular FormulaC72H68Br4Cl2Si2Zr2-2
Molecular Weight1562.48 g/mol
Exact Mass1553.91
IUPAC Nametetrakis(4-(4-bromophenyl)-2-ethyl-1H-inden-1-ide);bis(dimethylsilylidenezirconium(2+));dichloride
SMILESCCc1cc2c(-c3ccc(Br)cc3)cccc2[cH-]1.CCc1cc2c(-c3ccc(Br)cc3)cccc2[cH-]1.CCc1cc2c(-c3ccc(Br)cc3)cccc2[cH-]1.CCc1cc2c(-c3ccc(Br)cc3)cccc2[cH-]1.C[Si](C)=[Zr+2].C[Si](C)=[Zr+2].[Cl-].[Cl-]
InChIInChI=1S/4C17H14Br.2C2H6Si.2ClH.2Zr/c4*1-2-12-10-14-4-3-5-16(17(14)11-12)13-6-8-15(18)9-7-13;2*1-3-2;;;;/h4*3-11H,2H2,1H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2
InChIKeyBNUVHYJBEVGDJL-UHFFFAOYSA-L
XLogP17.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001562.48
LogP ≤ 517.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze tetrakis(4-(4-bromophenyl)-2-ethyl-1H-inden-1-ide);bis(dimethylsilylidenezirconium(2+));dichloride 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 tetrakis(4-(4-bromophenyl)-2-ethyl-1H-inden-1-ide);bis(dimethylsilylidenezirconium(2+));dichloride?
The IUPAC name of tetrakis(4-(4-bromophenyl)-2-ethyl-1H-inden-1-ide);bis(dimethylsilylidenezirconium(2+));dichloride (CID 18008261) is tetrakis(4-(4-bromophenyl)-2-ethyl-1H-inden-1-ide);bis(dimethylsilylidenezirconium(2+));dichloride.
What is the SMILES notation for tetrakis(4-(4-bromophenyl)-2-ethyl-1H-inden-1-ide);bis(dimethylsilylidenezirconium(2+));dichloride?
The canonical SMILES for tetrakis(4-(4-bromophenyl)-2-ethyl-1H-inden-1-ide);bis(dimethylsilylidenezirconium(2+));dichloride is CCc1cc2c(-c3ccc(Br)cc3)cccc2[cH-]1.CCc1cc2c(-c3ccc(Br)cc3)cccc2[cH-]1.CCc1cc2c(-c3ccc(Br)cc3)cccc2[cH-]1.CCc1cc2c(-c3ccc(Br)cc3)cccc2[cH-]1.C[Si](C)=[Zr+2].C[Si](C)=[Zr+2].[Cl-].[Cl-].
What is the InChIKey of tetrakis(4-(4-bromophenyl)-2-ethyl-1H-inden-1-ide);bis(dimethylsilylidenezirconium(2+));dichloride?
The InChIKey is BNUVHYJBEVGDJL-UHFFFAOYSA-L. The full InChI is InChI=1S/4C17H14Br.2C2H6Si.2ClH.2Zr/c4*1-2-12-10-14-4-3-5-16(17(14)11-12)13-6-8-15(18)9-7-13;2*1-3-2;;;;/h4*3-11H,2H2,1H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2.
What are the key properties of tetrakis(4-(4-bromophenyl)-2-ethyl-1H-inden-1-ide);bis(dimethylsilylidenezirconium(2+));dichloride?
tetrakis(4-(4-bromophenyl)-2-ethyl-1H-inden-1-ide);bis(dimethylsilylidenezirconium(2+));dichloride has a molecular weight of 1562.48 g/mol, XLogP of 17.78, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(4-(4-bromophenyl)-2-ethyl-1H-inden-1-ide);bis(dimethylsilylidenezirconium(2+));dichloride is sourced from PubChem (CID 18008261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).