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'}

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Related Compounds

2-cyclohexyl-4-(4-cyclohexylphenyl)-1H-inden-1-ide;4-(4-cyclohexylphenyl)-2-ethyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride
CID 158567031
CID 176896132
CID 176896132
9-(2-cyclopropyl-1H-inden-1-id-4-yl)carbazole;2-cyclopropyl-4-phenyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride
CID 160878334
4-(4-cyclohexylphenyl)-2-(4-methylcyclohexyl)-1H-inden-1-ide;4-(4-cyclohexylphenyl)-2-methyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride
CID 161438102
2-cyclopropyl-4-phenyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride
CID 157218925
bis(dimethylsilylidenezirconium(2+));tetrakis(2,4-diphenyl-1H-inden-1-ide);dichloride
CID 22602504
CID 173175646
CID 173175646
4-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-ide;2-cyclohexyl-4-(4-propan-2-ylphenyl)-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride
CID 158632331
dimethylsilylidenezirconium(2+);bis(2-methyl-4-(4-phenylphenyl)-1H-inden-1-ide);dichloride
CID 173142029
bis(dimethylsilylidenezirconium(2+));tetrakis(2-ethyl-4-phenyl-1H-inden-1-ide);dichloride
CID 18008267
dimethylsilylidenezirconium(2+);bis(2-ethyl-4-phenyl-1H-inden-1-ide);dichloride
CID 18433941
dimethylsilylidenezirconium(2+);bis(trimethyl-(4-phenyl-1H-inden-1-id-2-yl)silane);dichloride
CID 161496746

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).