inden-1-id-1-yl(trimethyl)silane;methanidylbenzene;zirconium(4+)

C33H36SiZr — CID 173259494

IUPACinden-1-id-1-yl(trimethyl)silane;methanidylbenzene;zirconium(4+)
SMILESC[Si](C)(C)[c-]1ccc2ccccc21.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[Zr+4]
InChIInChI=1S/C12H15Si.3C7H7.Zr/c1-13(2,3)12-9-8-10-6-4-5-7-11(10)12;3*1-7-5-3-2-4-6-7;/h4-9H,1-3H3;3*2-6H,1H2;/q4*-1;+4
InChIKeyDWOBNZIBCMMQOT-UHFFFAOYSA-N
MW551.96 g/mol
LogP8.71
Rot. Bonds1

About inden-1-id-1-yl(trimethyl)silane;methanidylbenzene;zirconium(4+)

inden-1-id-1-yl(trimethyl)silane;methanidylbenzene;zirconium(4+) (PubChem CID 173259494) has the molecular formula C33H36SiZr and a molecular weight of 551.96 g/mol. Its IUPAC name is inden-1-id-1-yl(trimethyl)silane;methanidylbenzene;zirconium(4+).

Molecular Properties

Compound Nameinden-1-id-1-yl(trimethyl)silane;methanidylbenzene;zirconium(4+)
PubChem CID173259494
Molecular FormulaC33H36SiZr
Molecular Weight551.96 g/mol
Exact Mass550.16
IUPAC Nameinden-1-id-1-yl(trimethyl)silane;methanidylbenzene;zirconium(4+)
SMILESC[Si](C)(C)[c-]1ccc2ccccc21.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[Zr+4]
InChIInChI=1S/C12H15Si.3C7H7.Zr/c1-13(2,3)12-9-8-10-6-4-5-7-11(10)12;3*1-7-5-3-2-4-6-7;/h4-9H,1-3H3;3*2-6H,1H2;/q4*-1;+4
InChIKeyDWOBNZIBCMMQOT-UHFFFAOYSA-N
XLogP8.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.96
LogP ≤ 58.71
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

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CID 173383686
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CID 88592937
diethyl-inden-1-id-1-yl-phenylsilane;trichlorotitanium(1+)
CID 88592866
hafnium;methanidylbenzene
CID 57417385
methanidylbenzene;uranium(2+)
CID 20736562
methanidylbenzene;zinc
CID 57471618
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CID 23228926
sodium 1-methylinden-1-ide
CID 175318654
bis(tert-butyl-inden-1-id-1-yloxy-dimethylsilane);zirconium(2+)
CID 87992761
fluoromethane;methanidylbenzene;yttrium
CID 160646799
bis(1-propan-2-ylinden-1-ide);zirconium(4+);dichloride
CID 173246925
magnesium;methanidylbenzene;hydrochloride
CID 175590637

Frequently Asked Questions

What is the IUPAC name of inden-1-id-1-yl(trimethyl)silane;methanidylbenzene;zirconium(4+)?
The IUPAC name of inden-1-id-1-yl(trimethyl)silane;methanidylbenzene;zirconium(4+) (CID 173259494) is inden-1-id-1-yl(trimethyl)silane;methanidylbenzene;zirconium(4+).
What is the SMILES notation for inden-1-id-1-yl(trimethyl)silane;methanidylbenzene;zirconium(4+)?
The canonical SMILES for inden-1-id-1-yl(trimethyl)silane;methanidylbenzene;zirconium(4+) is C[Si](C)(C)[c-]1ccc2ccccc21.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[Zr+4].
What is the InChIKey of inden-1-id-1-yl(trimethyl)silane;methanidylbenzene;zirconium(4+)?
The InChIKey is DWOBNZIBCMMQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Si.3C7H7.Zr/c1-13(2,3)12-9-8-10-6-4-5-7-11(10)12;3*1-7-5-3-2-4-6-7;/h4-9H,1-3H3;3*2-6H,1H2;/q4*-1;+4.
What are the key properties of inden-1-id-1-yl(trimethyl)silane;methanidylbenzene;zirconium(4+)?
inden-1-id-1-yl(trimethyl)silane;methanidylbenzene;zirconium(4+) has a molecular weight of 551.96 g/mol, XLogP of 8.71, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for inden-1-id-1-yl(trimethyl)silane;methanidylbenzene;zirconium(4+) is sourced from PubChem (CID 173259494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).