2-cyclohexyl-1-(1,2-dihydroinden-2-id-1-yl)-1H-indene;dimethylsilylidenezirconium(2+);dichloride

C26H29Cl2SiZr- — CID 160917637

IUPAC2-cyclohexyl-1-(1,2-dihydroinden-2-id-1-yl)-1H-indene;dimethylsilylidenezirconium(2+);dichloride
SMILESC[Si](C)=[Zr+2].[C-]1=Cc2ccccc2C1C1C(C2CCCCC2)=Cc2ccccc21.[Cl-].[Cl-]
InChIInChI=1S/C24H23.C2H6Si.2ClH.Zr/c1-2-8-17(9-3-1)23-16-19-11-5-7-13-21(19)24(23)22-15-14-18-10-4-6-12-20(18)22;1-3-2;;;/h4-7,10-14,16-17,22,24H,1-3,8-9H2;1-2H3;2*1H;/q-1;;;;+2/p-2
InChIKeyJNHUCFXVSSLTTE-UHFFFAOYSA-L
MW531.73 g/mol
LogP1.15
Rot. Bonds2

About 2-cyclohexyl-1-(1,2-dihydroinden-2-id-1-yl)-1H-indene;dimethylsilylidenezirconium(2+);dichloride

2-cyclohexyl-1-(1,2-dihydroinden-2-id-1-yl)-1H-indene;dimethylsilylidenezirconium(2+);dichloride (PubChem CID 160917637) has the molecular formula C26H29Cl2SiZr- and a molecular weight of 531.73 g/mol. Its IUPAC name is 2-cyclohexyl-1-(1,2-dihydroinden-2-id-1-yl)-1H-indene;dimethylsilylidenezirconium(2+);dichloride.

Molecular Properties

Compound Name2-cyclohexyl-1-(1,2-dihydroinden-2-id-1-yl)-1H-indene;dimethylsilylidenezirconium(2+);dichloride
PubChem CID160917637
Molecular FormulaC26H29Cl2SiZr-
Molecular Weight531.73 g/mol
Exact Mass529.05
IUPAC Name2-cyclohexyl-1-(1,2-dihydroinden-2-id-1-yl)-1H-indene;dimethylsilylidenezirconium(2+);dichloride
SMILESC[Si](C)=[Zr+2].[C-]1=Cc2ccccc2C1C1C(C2CCCCC2)=Cc2ccccc21.[Cl-].[Cl-]
InChIInChI=1S/C24H23.C2H6Si.2ClH.Zr/c1-2-8-17(9-3-1)23-16-19-11-5-7-13-21(19)24(23)22-15-14-18-10-4-6-12-20(18)22;1-3-2;;;/h4-7,10-14,16-17,22,24H,1-3,8-9H2;1-2H3;2*1H;/q-1;;;;+2/p-2
InChIKeyJNHUCFXVSSLTTE-UHFFFAOYSA-L
XLogP1.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.73
LogP ≤ 51.15
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-1-(1,2-dihydroinden-2-id-1-yl)-1H-indene;zirconium(3+);dichloride
CID 160521907
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CID 161008960
1-cyclohexyl-1,2-dihydroinden-2-ide;cyclopenta-1,3-diene;hafnium(4+);dichloride
CID 160866287
1-cyclohexyl-2-ethyl-1H-indene
CID 173422098
1-propyl-1,2-dihydroinden-2-ide;titanium(3+);dichloride
CID 174711446
2-cyclododecylphenol
CID 22381643
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CID 134854212
dibromotitanium;1-methyl-1,2-dihydroinden-2-ide
CID 174700744
lithium 1-butyl-1,2-dihydroinden-2-ide
CID 86706728
hafnium;1-methyl-1,2-dihydroinden-2-ide;difluoride
CID 158792609
4-cyclohexyl-2-methyl-1-[(2-methyl-1H-inden-1-yl)methyl]-1H-indene
CID 91157559
1-cyclohexyl-2-methyl-3-(2-methyl-1H-inden-1-yl)naphthalene
CID 87492929

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(1,2-dihydroinden-2-id-1-yl)-1H-indene;dimethylsilylidenezirconium(2+);dichloride?
The IUPAC name of 2-cyclohexyl-1-(1,2-dihydroinden-2-id-1-yl)-1H-indene;dimethylsilylidenezirconium(2+);dichloride (CID 160917637) is 2-cyclohexyl-1-(1,2-dihydroinden-2-id-1-yl)-1H-indene;dimethylsilylidenezirconium(2+);dichloride.
What is the SMILES notation for 2-cyclohexyl-1-(1,2-dihydroinden-2-id-1-yl)-1H-indene;dimethylsilylidenezirconium(2+);dichloride?
The canonical SMILES for 2-cyclohexyl-1-(1,2-dihydroinden-2-id-1-yl)-1H-indene;dimethylsilylidenezirconium(2+);dichloride is C[Si](C)=[Zr+2].[C-]1=Cc2ccccc2C1C1C(C2CCCCC2)=Cc2ccccc21.[Cl-].[Cl-].
What is the InChIKey of 2-cyclohexyl-1-(1,2-dihydroinden-2-id-1-yl)-1H-indene;dimethylsilylidenezirconium(2+);dichloride?
The InChIKey is JNHUCFXVSSLTTE-UHFFFAOYSA-L. The full InChI is InChI=1S/C24H23.C2H6Si.2ClH.Zr/c1-2-8-17(9-3-1)23-16-19-11-5-7-13-21(19)24(23)22-15-14-18-10-4-6-12-20(18)22;1-3-2;;;/h4-7,10-14,16-17,22,24H,1-3,8-9H2;1-2H3;2*1H;/q-1;;;;+2/p-2.
What are the key properties of 2-cyclohexyl-1-(1,2-dihydroinden-2-id-1-yl)-1H-indene;dimethylsilylidenezirconium(2+);dichloride?
2-cyclohexyl-1-(1,2-dihydroinden-2-id-1-yl)-1H-indene;dimethylsilylidenezirconium(2+);dichloride has a molecular weight of 531.73 g/mol, XLogP of 1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(1,2-dihydroinden-2-id-1-yl)-1H-indene;dimethylsilylidenezirconium(2+);dichloride is sourced from PubChem (CID 160917637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).