9H-fluoren-9-yl-(1-hex-5-en-3-yl-1H-inden-2-yl)-diphenylsilane

C40H36Si — CID 140986375

IUPAC9H-fluoren-9-yl-(1-hex-5-en-3-yl-1H-inden-2-yl)-diphenylsilane
SMILESC=CCC(CC)C1C([Si](c2ccccc2)(c2ccccc2)C2c3ccccc3-c3ccccc32)=Cc2ccccc21
InChIInChI=1S/C40H36Si/c1-3-17-29(4-2)39-33-23-12-11-18-30(33)28-38(39)41(31-19-7-5-8-20-31,32-21-9-6-10-22-32)40-36-26-15-13-24-34(36)35-25-14-16-27-37(35)40/h3,5-16,18-29,39-40H,1,4,17H2,2H3
InChIKeyYXRVQDXLBAATHW-UHFFFAOYSA-N
MW544.81 g/mol
LogP8.92
Rot. Bonds8

About 9H-fluoren-9-yl-(1-hex-5-en-3-yl-1H-inden-2-yl)-diphenylsilane

9H-fluoren-9-yl-(1-hex-5-en-3-yl-1H-inden-2-yl)-diphenylsilane (PubChem CID 140986375) has the molecular formula C40H36Si and a molecular weight of 544.81 g/mol. Its IUPAC name is 9H-fluoren-9-yl-(1-hex-5-en-3-yl-1H-inden-2-yl)-diphenylsilane.

Molecular Properties

Compound Name9H-fluoren-9-yl-(1-hex-5-en-3-yl-1H-inden-2-yl)-diphenylsilane
PubChem CID140986375
Molecular FormulaC40H36Si
Molecular Weight544.81 g/mol
Exact Mass544.26
IUPAC Name9H-fluoren-9-yl-(1-hex-5-en-3-yl-1H-inden-2-yl)-diphenylsilane
SMILESC=CCC(CC)C1C([Si](c2ccccc2)(c2ccccc2)C2c3ccccc3-c3ccccc32)=Cc2ccccc21
InChIInChI=1S/C40H36Si/c1-3-17-29(4-2)39-33-23-12-11-18-30(33)28-38(39)41(31-19-7-5-8-20-31,32-21-9-6-10-22-32)40-36-26-15-13-24-34(36)35-25-14-16-27-37(35)40/h3,5-16,18-29,39-40H,1,4,17H2,2H3
InChIKeyYXRVQDXLBAATHW-UHFFFAOYSA-N
XLogP8.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms41
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.81
LogP ≤ 58.92
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 9H-fluoren-9-yl-(1-hex-5-en-3-yl-1H-inden-2-yl)-diphenylsilane?
The IUPAC name of 9H-fluoren-9-yl-(1-hex-5-en-3-yl-1H-inden-2-yl)-diphenylsilane (CID 140986375) is 9H-fluoren-9-yl-(1-hex-5-en-3-yl-1H-inden-2-yl)-diphenylsilane.
What is the SMILES notation for 9H-fluoren-9-yl-(1-hex-5-en-3-yl-1H-inden-2-yl)-diphenylsilane?
The canonical SMILES for 9H-fluoren-9-yl-(1-hex-5-en-3-yl-1H-inden-2-yl)-diphenylsilane is C=CCC(CC)C1C([Si](c2ccccc2)(c2ccccc2)C2c3ccccc3-c3ccccc32)=Cc2ccccc21.
What is the InChIKey of 9H-fluoren-9-yl-(1-hex-5-en-3-yl-1H-inden-2-yl)-diphenylsilane?
The InChIKey is YXRVQDXLBAATHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H36Si/c1-3-17-29(4-2)39-33-23-12-11-18-30(33)28-38(39)41(31-19-7-5-8-20-31,32-21-9-6-10-22-32)40-36-26-15-13-24-34(36)35-25-14-16-27-37(35)40/h3,5-16,18-29,39-40H,1,4,17H2,2H3.
What are the key properties of 9H-fluoren-9-yl-(1-hex-5-en-3-yl-1H-inden-2-yl)-diphenylsilane?
9H-fluoren-9-yl-(1-hex-5-en-3-yl-1H-inden-2-yl)-diphenylsilane has a molecular weight of 544.81 g/mol, XLogP of 8.92, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-yl-(1-hex-5-en-3-yl-1H-inden-2-yl)-diphenylsilane is sourced from PubChem (CID 140986375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).