dimethylsilylidenezirconium(2+);bis(trimethyl-[4-[2-[(1-methylcyclohexyl)methyl]-1H-inden-1-id-4-yl]phenyl]silane);dichloride

C54H72Cl2Si3Zr-2 — CID 158127662

IUPACdimethylsilylidenezirconium(2+);bis(trimethyl-[4-[2-[(1-methylcyclohexyl)methyl]-1H-inden-1-id-4-yl]phenyl]silane);dichloride
SMILESCC1(Cc2cc3c(-c4ccc([Si](C)(C)C)cc4)cccc3[cH-]2)CCCCC1.CC1(Cc2cc3c(-c4ccc([Si](C)(C)C)cc4)cccc3[cH-]2)CCCCC1.C[Si](C)=[Zr+2].[Cl-].[Cl-]
InChIInChI=1S/2C26H33Si.C2H6Si.2ClH.Zr/c2*1-26(15-6-5-7-16-26)19-20-17-22-9-8-10-24(25(22)18-20)21-11-13-23(14-12-21)27(2,3)4;1-3-2;;;/h2*8-14,17-18H,5-7,15-16,19H2,1-4H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyYBFZASNIXTULPE-UHFFFAOYSA-L
MW967.56 g/mol
LogP9.36
Rot. Bonds8

About dimethylsilylidenezirconium(2+);bis(trimethyl-[4-[2-[(1-methylcyclohexyl)methyl]-1H-inden-1-id-4-yl]phenyl]silane);dichloride

dimethylsilylidenezirconium(2+);bis(trimethyl-[4-[2-[(1-methylcyclohexyl)methyl]-1H-inden-1-id-4-yl]phenyl]silane);dichloride (PubChem CID 158127662) has the molecular formula C54H72Cl2Si3Zr-2 and a molecular weight of 967.56 g/mol. Its IUPAC name is dimethylsilylidenezirconium(2+);bis(trimethyl-[4-[2-[(1-methylcyclohexyl)methyl]-1H-inden-1-id-4-yl]phenyl]silane);dichloride.

Molecular Properties

Compound Namedimethylsilylidenezirconium(2+);bis(trimethyl-[4-[2-[(1-methylcyclohexyl)methyl]-1H-inden-1-id-4-yl]phenyl]silane);dichloride
PubChem CID158127662
Molecular FormulaC54H72Cl2Si3Zr-2
Molecular Weight967.56 g/mol
Exact Mass964.34
IUPAC Namedimethylsilylidenezirconium(2+);bis(trimethyl-[4-[2-[(1-methylcyclohexyl)methyl]-1H-inden-1-id-4-yl]phenyl]silane);dichloride
SMILESCC1(Cc2cc3c(-c4ccc([Si](C)(C)C)cc4)cccc3[cH-]2)CCCCC1.CC1(Cc2cc3c(-c4ccc([Si](C)(C)C)cc4)cccc3[cH-]2)CCCCC1.C[Si](C)=[Zr+2].[Cl-].[Cl-]
InChIInChI=1S/2C26H33Si.C2H6Si.2ClH.Zr/c2*1-26(15-6-5-7-16-26)19-20-17-22-9-8-10-24(25(22)18-20)21-11-13-23(14-12-21)27(2,3)4;1-3-2;;;/h2*8-14,17-18H,5-7,15-16,19H2,1-4H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyYBFZASNIXTULPE-UHFFFAOYSA-L
XLogP9.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500967.56
LogP ≤ 59.36
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

dimethylsilylidenezirconium(2+);bis(trimethyl-[4-[2-[(1-methylcyclopentyl)methyl]-1H-inden-1-id-4-yl]phenyl]silane);dichloride
CID 158132037
dimethylsilylidenezirconium(2+);bis(trimethyl-[4-[2-[(1-propylcyclopentyl)methyl]-1H-inden-1-id-4-yl]phenyl]silane);dichloride
CID 157338860
CID 173068527
CID 173068527
bis(dimethylsilylidenezirconium(2+));tetrakis([4-(2-ethyl-1H-inden-1-id-4-yl)phenyl]-trimethylsilane);dichloride
CID 18008255
CID 87381225
CID 87381225
CID 87381647
CID 87381647
4-(4-tert-butylphenyl)-2-[(1-methylcycloheptyl)methyl]-1H-inden-1-ide;dichlorozirconium
CID 89464754
dimethylsilylidenezirconium(2+);bis(2-[(1-ethylcyclohexyl)methyl]-4-(4-ethylphenyl)-1H-inden-1-ide);dichloride
CID 158640964
CID 87381728
CID 87381728
dimethylsilylidenezirconium(2+);bis(2-[(1-ethylcyclopentyl)methyl]-4-(4-ethylphenyl)-1H-inden-1-ide);dichloride
CID 158546048
CID 173068228
CID 173068228
CID 173068473
CID 173068473

Frequently Asked Questions

What is the IUPAC name of dimethylsilylidenezirconium(2+);bis(trimethyl-[4-[2-[(1-methylcyclohexyl)methyl]-1H-inden-1-id-4-yl]phenyl]silane);dichloride?
The IUPAC name of dimethylsilylidenezirconium(2+);bis(trimethyl-[4-[2-[(1-methylcyclohexyl)methyl]-1H-inden-1-id-4-yl]phenyl]silane);dichloride (CID 158127662) is dimethylsilylidenezirconium(2+);bis(trimethyl-[4-[2-[(1-methylcyclohexyl)methyl]-1H-inden-1-id-4-yl]phenyl]silane);dichloride.
What is the SMILES notation for dimethylsilylidenezirconium(2+);bis(trimethyl-[4-[2-[(1-methylcyclohexyl)methyl]-1H-inden-1-id-4-yl]phenyl]silane);dichloride?
The canonical SMILES for dimethylsilylidenezirconium(2+);bis(trimethyl-[4-[2-[(1-methylcyclohexyl)methyl]-1H-inden-1-id-4-yl]phenyl]silane);dichloride is CC1(Cc2cc3c(-c4ccc([Si](C)(C)C)cc4)cccc3[cH-]2)CCCCC1.CC1(Cc2cc3c(-c4ccc([Si](C)(C)C)cc4)cccc3[cH-]2)CCCCC1.C[Si](C)=[Zr+2].[Cl-].[Cl-].
What is the InChIKey of dimethylsilylidenezirconium(2+);bis(trimethyl-[4-[2-[(1-methylcyclohexyl)methyl]-1H-inden-1-id-4-yl]phenyl]silane);dichloride?
The InChIKey is YBFZASNIXTULPE-UHFFFAOYSA-L. The full InChI is InChI=1S/2C26H33Si.C2H6Si.2ClH.Zr/c2*1-26(15-6-5-7-16-26)19-20-17-22-9-8-10-24(25(22)18-20)21-11-13-23(14-12-21)27(2,3)4;1-3-2;;;/h2*8-14,17-18H,5-7,15-16,19H2,1-4H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of dimethylsilylidenezirconium(2+);bis(trimethyl-[4-[2-[(1-methylcyclohexyl)methyl]-1H-inden-1-id-4-yl]phenyl]silane);dichloride?
dimethylsilylidenezirconium(2+);bis(trimethyl-[4-[2-[(1-methylcyclohexyl)methyl]-1H-inden-1-id-4-yl]phenyl]silane);dichloride has a molecular weight of 967.56 g/mol, XLogP of 9.36, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylsilylidenezirconium(2+);bis(trimethyl-[4-[2-[(1-methylcyclohexyl)methyl]-1H-inden-1-id-4-yl]phenyl]silane);dichloride is sourced from PubChem (CID 158127662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).