[4-[2-(cycloheptylmethyl)-1H-inden-1-id-4-yl]phenyl]-trimethylsilane;dichlorozirconium

C26H33Cl2SiZr- — CID 89453317

IUPAC[4-[2-(cycloheptylmethyl)-1H-inden-1-id-4-yl]phenyl]-trimethylsilane;dichlorozirconium
SMILESC[Si](C)(C)c1ccc(-c2cccc3[cH-]c(CC4CCCCCC4)cc23)cc1.Cl[Zr]Cl
InChIInChI=1S/C26H33Si.2ClH.Zr/c1-27(2,3)24-15-13-22(14-16-24)25-12-8-11-23-18-21(19-26(23)25)17-20-9-6-4-5-7-10-20;;;/h8,11-16,18-20H,4-7,9-10,17H2,1-3H3;2*1H;/q-1;;;+2/p-2
InChIKeyAFGYHZBOVFWQGC-UHFFFAOYSA-L
MW535.77 g/mol
LogP8.66
Rot. Bonds4

About [4-[2-(cycloheptylmethyl)-1H-inden-1-id-4-yl]phenyl]-trimethylsilane;dichlorozirconium

[4-[2-(cycloheptylmethyl)-1H-inden-1-id-4-yl]phenyl]-trimethylsilane;dichlorozirconium (PubChem CID 89453317) has the molecular formula C26H33Cl2SiZr- and a molecular weight of 535.77 g/mol. Its IUPAC name is [4-[2-(cycloheptylmethyl)-1H-inden-1-id-4-yl]phenyl]-trimethylsilane;dichlorozirconium.

Molecular Properties

Compound Name[4-[2-(cycloheptylmethyl)-1H-inden-1-id-4-yl]phenyl]-trimethylsilane;dichlorozirconium
PubChem CID89453317
Molecular FormulaC26H33Cl2SiZr-
Molecular Weight535.77 g/mol
Exact Mass533.08
IUPAC Name[4-[2-(cycloheptylmethyl)-1H-inden-1-id-4-yl]phenyl]-trimethylsilane;dichlorozirconium
SMILESC[Si](C)(C)c1ccc(-c2cccc3[cH-]c(CC4CCCCCC4)cc23)cc1.Cl[Zr]Cl
InChIInChI=1S/C26H33Si.2ClH.Zr/c1-27(2,3)24-15-13-22(14-16-24)25-12-8-11-23-18-21(19-26(23)25)17-20-9-6-4-5-7-10-20;;;/h8,11-16,18-20H,4-7,9-10,17H2,1-3H3;2*1H;/q-1;;;+2/p-2
InChIKeyAFGYHZBOVFWQGC-UHFFFAOYSA-L
XLogP8.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.77
LogP ≤ 58.66
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

CID 173088651
CID 173088651
1-[2-(cycloheptylmethyl)-1H-inden-1-id-4-yl]naphthalene;dichlorozirconium
CID 89464511
CID 87323249
CID 87323249
4-(4-butan-2-ylphenyl)-2-(cycloheptylmethyl)-1H-inden-1-ide;zirconium;dihydrochloride
CID 89463920
CID 173068527
CID 173068527
CID 87475973
CID 87475973
dimethylsilylidenezirconium(2+);bis(trimethyl-[4-[2-[(1-methylcyclohexyl)methyl]-1H-inden-1-id-4-yl]phenyl]silane);dichloride
CID 158127662
CID 87477287
CID 87477287
bis(dimethylsilylidenezirconium(2+));tetrakis([4-(2-ethyl-1H-inden-1-id-4-yl)phenyl]-trimethylsilane);dichloride
CID 18008255
CID 87476987
CID 87476987
CID 173088370
CID 173088370
dimethylsilylidenezirconium(2+);bis(trimethyl-[4-[2-[(1-methylcyclopentyl)methyl]-1H-inden-1-id-4-yl]phenyl]silane);dichloride
CID 158132037

Frequently Asked Questions

What is the IUPAC name of [4-[2-(cycloheptylmethyl)-1H-inden-1-id-4-yl]phenyl]-trimethylsilane;dichlorozirconium?
The IUPAC name of [4-[2-(cycloheptylmethyl)-1H-inden-1-id-4-yl]phenyl]-trimethylsilane;dichlorozirconium (CID 89453317) is [4-[2-(cycloheptylmethyl)-1H-inden-1-id-4-yl]phenyl]-trimethylsilane;dichlorozirconium.
What is the SMILES notation for [4-[2-(cycloheptylmethyl)-1H-inden-1-id-4-yl]phenyl]-trimethylsilane;dichlorozirconium?
The canonical SMILES for [4-[2-(cycloheptylmethyl)-1H-inden-1-id-4-yl]phenyl]-trimethylsilane;dichlorozirconium is C[Si](C)(C)c1ccc(-c2cccc3[cH-]c(CC4CCCCCC4)cc23)cc1.Cl[Zr]Cl.
What is the InChIKey of [4-[2-(cycloheptylmethyl)-1H-inden-1-id-4-yl]phenyl]-trimethylsilane;dichlorozirconium?
The InChIKey is AFGYHZBOVFWQGC-UHFFFAOYSA-L. The full InChI is InChI=1S/C26H33Si.2ClH.Zr/c1-27(2,3)24-15-13-22(14-16-24)25-12-8-11-23-18-21(19-26(23)25)17-20-9-6-4-5-7-10-20;;;/h8,11-16,18-20H,4-7,9-10,17H2,1-3H3;2*1H;/q-1;;;+2/p-2.
What are the key properties of [4-[2-(cycloheptylmethyl)-1H-inden-1-id-4-yl]phenyl]-trimethylsilane;dichlorozirconium?
[4-[2-(cycloheptylmethyl)-1H-inden-1-id-4-yl]phenyl]-trimethylsilane;dichlorozirconium has a molecular weight of 535.77 g/mol, XLogP of 8.66, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(cycloheptylmethyl)-1H-inden-1-id-4-yl]phenyl]-trimethylsilane;dichlorozirconium is sourced from PubChem (CID 89453317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).