[2-[2-(9H-fluoren-9-yl)ethyl]-1H-inden-1-yl]-hex-5-en-3-yl-dimethylsilane

C32H36Si — CID 54448104

IUPAC[2-[2-(9H-fluoren-9-yl)ethyl]-1H-inden-1-yl]-hex-5-en-3-yl-dimethylsilane
SMILESC=CCC(CC)[Si](C)(C)C1C(CCC2c3ccccc3-c3ccccc32)=Cc2ccccc21
InChIInChI=1S/C32H36Si/c1-5-13-25(6-2)33(3,4)32-24(22-23-14-7-8-15-26(23)32)20-21-31-29-18-11-9-16-27(29)28-17-10-12-19-30(28)31/h5,7-12,14-19,22,25,31-32H,1,6,13,20-21H2,2-4H3
InChIKeyWSZMZEFZBQBYKA-UHFFFAOYSA-N
MW448.73 g/mol
LogP9.36
Rot. Bonds8

About [2-[2-(9H-fluoren-9-yl)ethyl]-1H-inden-1-yl]-hex-5-en-3-yl-dimethylsilane

[2-[2-(9H-fluoren-9-yl)ethyl]-1H-inden-1-yl]-hex-5-en-3-yl-dimethylsilane (PubChem CID 54448104) has the molecular formula C32H36Si and a molecular weight of 448.73 g/mol. Its IUPAC name is [2-[2-(9H-fluoren-9-yl)ethyl]-1H-inden-1-yl]-hex-5-en-3-yl-dimethylsilane.

Molecular Properties

Compound Name[2-[2-(9H-fluoren-9-yl)ethyl]-1H-inden-1-yl]-hex-5-en-3-yl-dimethylsilane
PubChem CID54448104
Molecular FormulaC32H36Si
Molecular Weight448.73 g/mol
Exact Mass448.26
IUPAC Name[2-[2-(9H-fluoren-9-yl)ethyl]-1H-inden-1-yl]-hex-5-en-3-yl-dimethylsilane
SMILESC=CCC(CC)[Si](C)(C)C1C(CCC2c3ccccc3-c3ccccc32)=Cc2ccccc21
InChIInChI=1S/C32H36Si/c1-5-13-25(6-2)33(3,4)32-24(22-23-14-7-8-15-26(23)32)20-21-31-29-18-11-9-16-27(29)28-17-10-12-19-30(28)31/h5,7-12,14-19,22,25,31-32H,1,6,13,20-21H2,2-4H3
InChIKeyWSZMZEFZBQBYKA-UHFFFAOYSA-N
XLogP9.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.73
LogP ≤ 59.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(9H-fluoren-9-yl)ethyl]-1H-inden-1-yl]-hex-5-en-3-yl-dimethylsilane?
The IUPAC name of [2-[2-(9H-fluoren-9-yl)ethyl]-1H-inden-1-yl]-hex-5-en-3-yl-dimethylsilane (CID 54448104) is [2-[2-(9H-fluoren-9-yl)ethyl]-1H-inden-1-yl]-hex-5-en-3-yl-dimethylsilane.
What is the SMILES notation for [2-[2-(9H-fluoren-9-yl)ethyl]-1H-inden-1-yl]-hex-5-en-3-yl-dimethylsilane?
The canonical SMILES for [2-[2-(9H-fluoren-9-yl)ethyl]-1H-inden-1-yl]-hex-5-en-3-yl-dimethylsilane is C=CCC(CC)[Si](C)(C)C1C(CCC2c3ccccc3-c3ccccc32)=Cc2ccccc21.
What is the InChIKey of [2-[2-(9H-fluoren-9-yl)ethyl]-1H-inden-1-yl]-hex-5-en-3-yl-dimethylsilane?
The InChIKey is WSZMZEFZBQBYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36Si/c1-5-13-25(6-2)33(3,4)32-24(22-23-14-7-8-15-26(23)32)20-21-31-29-18-11-9-16-27(29)28-17-10-12-19-30(28)31/h5,7-12,14-19,22,25,31-32H,1,6,13,20-21H2,2-4H3.
What are the key properties of [2-[2-(9H-fluoren-9-yl)ethyl]-1H-inden-1-yl]-hex-5-en-3-yl-dimethylsilane?
[2-[2-(9H-fluoren-9-yl)ethyl]-1H-inden-1-yl]-hex-5-en-3-yl-dimethylsilane has a molecular weight of 448.73 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 [2-[2-(9H-fluoren-9-yl)ethyl]-1H-inden-1-yl]-hex-5-en-3-yl-dimethylsilane is sourced from PubChem (CID 54448104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).