bis(2-cyclohexyl-4-phenyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+)

C44H48SiZr — CID 150708646

IUPACbis(2-cyclohexyl-4-phenyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+)
SMILESC[Si](C)=[Zr+2].c1ccc(-c2cccc3[cH-]c(C4CCCCC4)cc23)cc1.c1ccc(-c2cccc3[cH-]c(C4CCCCC4)cc23)cc1
InChIInChI=1S/2C21H21.C2H6Si.Zr/c2*1-3-8-16(9-4-1)19-14-18-12-7-13-20(21(18)15-19)17-10-5-2-6-11-17;1-3-2;/h2*2,5-7,10-16H,1,3-4,8-9H2;1-2H3;/q2*-1;;+2
InChIKeyCZRSLNYTTOMVOD-UHFFFAOYSA-N
MW696.18 g/mol
LogP13.33
Rot. Bonds4

About bis(2-cyclohexyl-4-phenyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+)

bis(2-cyclohexyl-4-phenyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+) (PubChem CID 150708646) has the molecular formula C44H48SiZr and a molecular weight of 696.18 g/mol. Its IUPAC name is bis(2-cyclohexyl-4-phenyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+).

Molecular Properties

Compound Namebis(2-cyclohexyl-4-phenyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+)
PubChem CID150708646
Molecular FormulaC44H48SiZr
Molecular Weight696.18 g/mol
Exact Mass694.26
IUPAC Namebis(2-cyclohexyl-4-phenyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+)
SMILESC[Si](C)=[Zr+2].c1ccc(-c2cccc3[cH-]c(C4CCCCC4)cc23)cc1.c1ccc(-c2cccc3[cH-]c(C4CCCCC4)cc23)cc1
InChIInChI=1S/2C21H21.C2H6Si.Zr/c2*1-3-8-16(9-4-1)19-14-18-12-7-13-20(21(18)15-19)17-10-5-2-6-11-17;1-3-2;/h2*2,5-7,10-16H,1,3-4,8-9H2;1-2H3;/q2*-1;;+2
InChIKeyCZRSLNYTTOMVOD-UHFFFAOYSA-N
XLogP13.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.18
LogP ≤ 513.33
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 bis(2-cyclohexyl-4-phenyl-1H-inden-1-ide);dimethylsilylidenezirconium(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 bis(2-cyclohexyl-4-phenyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+)?
The IUPAC name of bis(2-cyclohexyl-4-phenyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+) (CID 150708646) is bis(2-cyclohexyl-4-phenyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+).
What is the SMILES notation for bis(2-cyclohexyl-4-phenyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+)?
The canonical SMILES for bis(2-cyclohexyl-4-phenyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+) is C[Si](C)=[Zr+2].c1ccc(-c2cccc3[cH-]c(C4CCCCC4)cc23)cc1.c1ccc(-c2cccc3[cH-]c(C4CCCCC4)cc23)cc1.
What is the InChIKey of bis(2-cyclohexyl-4-phenyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+)?
The InChIKey is CZRSLNYTTOMVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H21.C2H6Si.Zr/c2*1-3-8-16(9-4-1)19-14-18-12-7-13-20(21(18)15-19)17-10-5-2-6-11-17;1-3-2;/h2*2,5-7,10-16H,1,3-4,8-9H2;1-2H3;/q2*-1;;+2.
What are the key properties of bis(2-cyclohexyl-4-phenyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+)?
bis(2-cyclohexyl-4-phenyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+) has a molecular weight of 696.18 g/mol, XLogP of 13.33, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-cyclohexyl-4-phenyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+) is sourced from PubChem (CID 150708646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).