diethyl-methyl-[4-[(E)-1-[3-[(Z)-1-(4-triethylsilylphenyl)prop-1-enyl]phenyl]prop-1-enyl]phenyl]silane

C35H48Si2 — CID 161357993

IUPACdiethyl-methyl-[4-[(E)-1-[3-[(Z)-1-(4-triethylsilylphenyl)prop-1-enyl]phenyl]prop-1-enyl]phenyl]silane
SMILESC/C=C(/c1ccc([Si](CC)(CC)CC)cc1)c1cccc(/C(=C/C)c2ccc([Si](C)(CC)CC)cc2)c1
InChIInChI=1S/C35H48Si2/c1-9-34(28-19-23-32(24-20-28)36(8,11-3)12-4)30-17-16-18-31(27-30)35(10-2)29-21-25-33(26-22-29)37(13-5,14-6)15-7/h9-10,16-27H,11-15H2,1-8H3/b34-9+,35-10-
InChIKeyLJTSXNNOJXODHG-SZSZOVBKSA-N
MW524.94 g/mol
LogP9.63
Rot. Bonds11

About diethyl-methyl-[4-[(E)-1-[3-[(Z)-1-(4-triethylsilylphenyl)prop-1-enyl]phenyl]prop-1-enyl]phenyl]silane

diethyl-methyl-[4-[(E)-1-[3-[(Z)-1-(4-triethylsilylphenyl)prop-1-enyl]phenyl]prop-1-enyl]phenyl]silane (PubChem CID 161357993) has the molecular formula C35H48Si2 and a molecular weight of 524.94 g/mol. Its IUPAC name is diethyl-methyl-[4-[(E)-1-[3-[(Z)-1-(4-triethylsilylphenyl)prop-1-enyl]phenyl]prop-1-enyl]phenyl]silane.

Molecular Properties

Compound Namediethyl-methyl-[4-[(E)-1-[3-[(Z)-1-(4-triethylsilylphenyl)prop-1-enyl]phenyl]prop-1-enyl]phenyl]silane
PubChem CID161357993
Molecular FormulaC35H48Si2
Molecular Weight524.94 g/mol
Exact Mass524.33
IUPAC Namediethyl-methyl-[4-[(E)-1-[3-[(Z)-1-(4-triethylsilylphenyl)prop-1-enyl]phenyl]prop-1-enyl]phenyl]silane
SMILESC/C=C(/c1ccc([Si](CC)(CC)CC)cc1)c1cccc(/C(=C/C)c2ccc([Si](C)(CC)CC)cc2)c1
InChIInChI=1S/C35H48Si2/c1-9-34(28-19-23-32(24-20-28)36(8,11-3)12-4)30-17-16-18-31(27-30)35(10-2)29-21-25-33(26-22-29)37(13-5,14-6)15-7/h9-10,16-27H,11-15H2,1-8H3/b34-9+,35-10-
InChIKeyLJTSXNNOJXODHG-SZSZOVBKSA-N
XLogP9.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.94
LogP ≤ 59.63
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 diethyl-methyl-[4-[(E)-1-[3-[(Z)-1-(4-triethylsilylphenyl)prop-1-enyl]phenyl]prop-1-enyl]phenyl]silane?
The IUPAC name of diethyl-methyl-[4-[(E)-1-[3-[(Z)-1-(4-triethylsilylphenyl)prop-1-enyl]phenyl]prop-1-enyl]phenyl]silane (CID 161357993) is diethyl-methyl-[4-[(E)-1-[3-[(Z)-1-(4-triethylsilylphenyl)prop-1-enyl]phenyl]prop-1-enyl]phenyl]silane.
What is the SMILES notation for diethyl-methyl-[4-[(E)-1-[3-[(Z)-1-(4-triethylsilylphenyl)prop-1-enyl]phenyl]prop-1-enyl]phenyl]silane?
The canonical SMILES for diethyl-methyl-[4-[(E)-1-[3-[(Z)-1-(4-triethylsilylphenyl)prop-1-enyl]phenyl]prop-1-enyl]phenyl]silane is C/C=C(/c1ccc([Si](CC)(CC)CC)cc1)c1cccc(/C(=C/C)c2ccc([Si](C)(CC)CC)cc2)c1.
What is the InChIKey of diethyl-methyl-[4-[(E)-1-[3-[(Z)-1-(4-triethylsilylphenyl)prop-1-enyl]phenyl]prop-1-enyl]phenyl]silane?
The InChIKey is LJTSXNNOJXODHG-SZSZOVBKSA-N. The full InChI is InChI=1S/C35H48Si2/c1-9-34(28-19-23-32(24-20-28)36(8,11-3)12-4)30-17-16-18-31(27-30)35(10-2)29-21-25-33(26-22-29)37(13-5,14-6)15-7/h9-10,16-27H,11-15H2,1-8H3/b34-9+,35-10-.
What are the key properties of diethyl-methyl-[4-[(E)-1-[3-[(Z)-1-(4-triethylsilylphenyl)prop-1-enyl]phenyl]prop-1-enyl]phenyl]silane?
diethyl-methyl-[4-[(E)-1-[3-[(Z)-1-(4-triethylsilylphenyl)prop-1-enyl]phenyl]prop-1-enyl]phenyl]silane has a molecular weight of 524.94 g/mol, XLogP of 9.63, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-methyl-[4-[(E)-1-[3-[(Z)-1-(4-triethylsilylphenyl)prop-1-enyl]phenyl]prop-1-enyl]phenyl]silane is sourced from PubChem (CID 161357993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).