[4-[(4-tert-butylphenyl)-fluoren-1-ylidenemethyl]phenyl]-triethylsilane

C36H40Si — CID 173247181

IUPAC[4-[(4-tert-butylphenyl)-fluoren-1-ylidenemethyl]phenyl]-triethylsilane
SMILESCC[Si](CC)(CC)c1ccc(C(c2ccc(C(C)(C)C)cc2)=c2cccc3c2=Cc2ccccc2-3)cc1
InChIInChI=1S/C36H40Si/c1-7-37(8-2,9-3)30-23-19-27(20-24-30)35(26-17-21-29(22-18-26)36(4,5)6)33-16-12-15-32-31-14-11-10-13-28(31)25-34(32)33/h10-25H,7-9H2,1-6H3
InChIKeyMKEOCECQFFLBLU-UHFFFAOYSA-N
MW500.80 g/mol
LogP7.76
Rot. Bonds6

About [4-[(4-tert-butylphenyl)-fluoren-1-ylidenemethyl]phenyl]-triethylsilane

[4-[(4-tert-butylphenyl)-fluoren-1-ylidenemethyl]phenyl]-triethylsilane (PubChem CID 173247181) has the molecular formula C36H40Si and a molecular weight of 500.80 g/mol. Its IUPAC name is [4-[(4-tert-butylphenyl)-fluoren-1-ylidenemethyl]phenyl]-triethylsilane.

Molecular Properties

Compound Name[4-[(4-tert-butylphenyl)-fluoren-1-ylidenemethyl]phenyl]-triethylsilane
PubChem CID173247181
Molecular FormulaC36H40Si
Molecular Weight500.80 g/mol
Exact Mass500.29
IUPAC Name[4-[(4-tert-butylphenyl)-fluoren-1-ylidenemethyl]phenyl]-triethylsilane
SMILESCC[Si](CC)(CC)c1ccc(C(c2ccc(C(C)(C)C)cc2)=c2cccc3c2=Cc2ccccc2-3)cc1
InChIInChI=1S/C36H40Si/c1-7-37(8-2,9-3)30-23-19-27(20-24-30)35(26-17-21-29(22-18-26)36(4,5)6)33-16-12-15-32-31-14-11-10-13-28(31)25-34(32)33/h10-25H,7-9H2,1-6H3
InChIKeyMKEOCECQFFLBLU-UHFFFAOYSA-N
XLogP7.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.80
LogP ≤ 57.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[(4-tert-butylphenyl)-fluoren-1-ylidenemethyl]phenyl]-triethylsilane?
The IUPAC name of [4-[(4-tert-butylphenyl)-fluoren-1-ylidenemethyl]phenyl]-triethylsilane (CID 173247181) is [4-[(4-tert-butylphenyl)-fluoren-1-ylidenemethyl]phenyl]-triethylsilane.
What is the SMILES notation for [4-[(4-tert-butylphenyl)-fluoren-1-ylidenemethyl]phenyl]-triethylsilane?
The canonical SMILES for [4-[(4-tert-butylphenyl)-fluoren-1-ylidenemethyl]phenyl]-triethylsilane is CC[Si](CC)(CC)c1ccc(C(c2ccc(C(C)(C)C)cc2)=c2cccc3c2=Cc2ccccc2-3)cc1.
What is the InChIKey of [4-[(4-tert-butylphenyl)-fluoren-1-ylidenemethyl]phenyl]-triethylsilane?
The InChIKey is MKEOCECQFFLBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H40Si/c1-7-37(8-2,9-3)30-23-19-27(20-24-30)35(26-17-21-29(22-18-26)36(4,5)6)33-16-12-15-32-31-14-11-10-13-28(31)25-34(32)33/h10-25H,7-9H2,1-6H3.
What are the key properties of [4-[(4-tert-butylphenyl)-fluoren-1-ylidenemethyl]phenyl]-triethylsilane?
[4-[(4-tert-butylphenyl)-fluoren-1-ylidenemethyl]phenyl]-triethylsilane has a molecular weight of 500.80 g/mol, XLogP of 7.76, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-tert-butylphenyl)-fluoren-1-ylidenemethyl]phenyl]-triethylsilane is sourced from PubChem (CID 173247181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).