2-cyclohexyl-4-(4-cyclohexylphenyl)-1H-inden-1-ide;4-(4-cyclohexylphenyl)-2-ethyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride

C52H62Cl2SiZr-2 — CID 158567031

IUPAC2-cyclohexyl-4-(4-cyclohexylphenyl)-1H-inden-1-ide;4-(4-cyclohexylphenyl)-2-ethyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride
SMILESCCc1cc2c(-c3ccc(C4CCCCC4)cc3)cccc2[cH-]1.C[Si](C)=[Zr+2].[Cl-].[Cl-].c1cc(-c2ccc(C3CCCCC3)cc2)c2cc(C3CCCCC3)[cH-]c2c1
InChIInChI=1S/C27H31.C23H25.C2H6Si.2ClH.Zr/c1-3-8-20(9-4-1)22-14-16-23(17-15-22)26-13-7-12-24-18-25(19-27(24)26)21-10-5-2-6-11-21;1-2-17-15-21-9-6-10-22(23(21)16-17)20-13-11-19(12-14-20)18-7-4-3-5-8-18;1-3-2;;;/h7,12-21H,1-6,8-11H2;6,9-16,18H,2-5,7-8H2,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeySUHMOWRRIKYAPW-UHFFFAOYSA-L
MW877.28 g/mol
LogP9.95
Rot. Bonds6

About 2-cyclohexyl-4-(4-cyclohexylphenyl)-1H-inden-1-ide;4-(4-cyclohexylphenyl)-2-ethyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride

2-cyclohexyl-4-(4-cyclohexylphenyl)-1H-inden-1-ide;4-(4-cyclohexylphenyl)-2-ethyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride (PubChem CID 158567031) has the molecular formula C52H62Cl2SiZr-2 and a molecular weight of 877.28 g/mol. Its IUPAC name is 2-cyclohexyl-4-(4-cyclohexylphenyl)-1H-inden-1-ide;4-(4-cyclohexylphenyl)-2-ethyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride.

Molecular Properties

Compound Name2-cyclohexyl-4-(4-cyclohexylphenyl)-1H-inden-1-ide;4-(4-cyclohexylphenyl)-2-ethyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride
PubChem CID158567031
Molecular FormulaC52H62Cl2SiZr-2
Molecular Weight877.28 g/mol
Exact Mass874.31
IUPAC Name2-cyclohexyl-4-(4-cyclohexylphenyl)-1H-inden-1-ide;4-(4-cyclohexylphenyl)-2-ethyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride
SMILESCCc1cc2c(-c3ccc(C4CCCCC4)cc3)cccc2[cH-]1.C[Si](C)=[Zr+2].[Cl-].[Cl-].c1cc(-c2ccc(C3CCCCC3)cc2)c2cc(C3CCCCC3)[cH-]c2c1
InChIInChI=1S/C27H31.C23H25.C2H6Si.2ClH.Zr/c1-3-8-20(9-4-1)22-14-16-23(17-15-22)26-13-7-12-24-18-25(19-27(24)26)21-10-5-2-6-11-21;1-2-17-15-21-9-6-10-22(23(21)16-17)20-13-11-19(12-14-20)18-7-4-3-5-8-18;1-3-2;;;/h7,12-21H,1-6,8-11H2;6,9-16,18H,2-5,7-8H2,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeySUHMOWRRIKYAPW-UHFFFAOYSA-L
XLogP9.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500877.28
LogP ≤ 59.95
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 2-cyclohexyl-4-(4-cyclohexylphenyl)-1H-inden-1-ide;4-(4-cyclohexylphenyl)-2-ethyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride with MolForge

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Related Compounds

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
CID 173134157
CID 173134157
4-(4-cyclohexylphenyl)-2-(4-methylcyclohexyl)-1H-inden-1-ide;4-(4-cyclohexylphenyl)-2-methyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride
CID 161438102
bis(2-cyclohexyl-4-phenyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+)
CID 150708646
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
CID 173134162
CID 173134162
tetrakis(4-(4-bromophenyl)-2-ethyl-1H-inden-1-ide);bis(dimethylsilylidenezirconium(2+));dichloride
CID 18008261
CID 173134621
CID 173134621
bis(dimethylsilylidenezirconium(2+));tetrakis([4-(2-ethyl-1H-inden-1-id-4-yl)phenyl]-trimethylsilane);dichloride
CID 18008255
CID 87674428
CID 87674428
CID 173133885
CID 173133885

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-(4-cyclohexylphenyl)-1H-inden-1-ide;4-(4-cyclohexylphenyl)-2-ethyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride?
The IUPAC name of 2-cyclohexyl-4-(4-cyclohexylphenyl)-1H-inden-1-ide;4-(4-cyclohexylphenyl)-2-ethyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride (CID 158567031) is 2-cyclohexyl-4-(4-cyclohexylphenyl)-1H-inden-1-ide;4-(4-cyclohexylphenyl)-2-ethyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride.
What is the SMILES notation for 2-cyclohexyl-4-(4-cyclohexylphenyl)-1H-inden-1-ide;4-(4-cyclohexylphenyl)-2-ethyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride?
The canonical SMILES for 2-cyclohexyl-4-(4-cyclohexylphenyl)-1H-inden-1-ide;4-(4-cyclohexylphenyl)-2-ethyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride is CCc1cc2c(-c3ccc(C4CCCCC4)cc3)cccc2[cH-]1.C[Si](C)=[Zr+2].[Cl-].[Cl-].c1cc(-c2ccc(C3CCCCC3)cc2)c2cc(C3CCCCC3)[cH-]c2c1.
What is the InChIKey of 2-cyclohexyl-4-(4-cyclohexylphenyl)-1H-inden-1-ide;4-(4-cyclohexylphenyl)-2-ethyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride?
The InChIKey is SUHMOWRRIKYAPW-UHFFFAOYSA-L. The full InChI is InChI=1S/C27H31.C23H25.C2H6Si.2ClH.Zr/c1-3-8-20(9-4-1)22-14-16-23(17-15-22)26-13-7-12-24-18-25(19-27(24)26)21-10-5-2-6-11-21;1-2-17-15-21-9-6-10-22(23(21)16-17)20-13-11-19(12-14-20)18-7-4-3-5-8-18;1-3-2;;;/h7,12-21H,1-6,8-11H2;6,9-16,18H,2-5,7-8H2,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of 2-cyclohexyl-4-(4-cyclohexylphenyl)-1H-inden-1-ide;4-(4-cyclohexylphenyl)-2-ethyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride?
2-cyclohexyl-4-(4-cyclohexylphenyl)-1H-inden-1-ide;4-(4-cyclohexylphenyl)-2-ethyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride has a molecular weight of 877.28 g/mol, XLogP of 9.95, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-(4-cyclohexylphenyl)-1H-inden-1-ide;4-(4-cyclohexylphenyl)-2-ethyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride is sourced from PubChem (CID 158567031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).