2-[2-[(E)-1,2-bis(2-methoxyphenyl)-2-[2-(2-triphenylsilylethoxy)phenyl]ethenyl]phenoxy]ethyl-triphenylsilane

C68H60O4Si2 — CID 102512329

IUPAC2-[2-[(E)-1,2-bis(2-methoxyphenyl)-2-[2-(2-triphenylsilylethoxy)phenyl]ethenyl]phenoxy]ethyl-triphenylsilane
SMILESCOc1ccccc1/C(=C(/c1ccccc1OC)c1ccccc1OCC[Si](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1OCC[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C68H60O4Si2/c1-69-63-45-25-21-41-59(63)67(61-43-23-27-47-65(61)71-49-51-73(53-29-9-3-10-30-53,54-31-11-4-12-32-54)55-33-13-5-14-34-55)68(60-42-22-26-46-64(60)70-2)62-44-24-28-48-66(62)72-50-52-74(56-35-15-6-16-36-56,57-37-17-7-18-38-57)58-39-19-8-20-40-58/h3-48H,49-52H2,1-2H3/b68-67+
InChIKeyRTCIIBLCBNALMV-KSSWCAPESA-N
MW997.40 g/mol
LogP11.81
Rot. Bonds20

About 2-[2-[(E)-1,2-bis(2-methoxyphenyl)-2-[2-(2-triphenylsilylethoxy)phenyl]ethenyl]phenoxy]ethyl-triphenylsilane

2-[2-[(E)-1,2-bis(2-methoxyphenyl)-2-[2-(2-triphenylsilylethoxy)phenyl]ethenyl]phenoxy]ethyl-triphenylsilane (PubChem CID 102512329) has the molecular formula C68H60O4Si2 and a molecular weight of 997.40 g/mol. Its IUPAC name is 2-[2-[(E)-1,2-bis(2-methoxyphenyl)-2-[2-(2-triphenylsilylethoxy)phenyl]ethenyl]phenoxy]ethyl-triphenylsilane.

Molecular Properties

Compound Name2-[2-[(E)-1,2-bis(2-methoxyphenyl)-2-[2-(2-triphenylsilylethoxy)phenyl]ethenyl]phenoxy]ethyl-triphenylsilane
PubChem CID102512329
Molecular FormulaC68H60O4Si2
Molecular Weight997.40 g/mol
Exact Mass996.40
IUPAC Name2-[2-[(E)-1,2-bis(2-methoxyphenyl)-2-[2-(2-triphenylsilylethoxy)phenyl]ethenyl]phenoxy]ethyl-triphenylsilane
SMILESCOc1ccccc1/C(=C(/c1ccccc1OC)c1ccccc1OCC[Si](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1OCC[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C68H60O4Si2/c1-69-63-45-25-21-41-59(63)67(61-43-23-27-47-65(61)71-49-51-73(53-29-9-3-10-30-53,54-31-11-4-12-32-54)55-33-13-5-14-34-55)68(60-42-22-26-46-64(60)70-2)62-44-24-28-48-66(62)72-50-52-74(56-35-15-6-16-36-56,57-37-17-7-18-38-57)58-39-19-8-20-40-58/h3-48H,49-52H2,1-2H3/b68-67+
InChIKeyRTCIIBLCBNALMV-KSSWCAPESA-N
XLogP11.81
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500997.40
LogP ≤ 511.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-1,2-bis(2-methoxyphenyl)-2-[2-(2-triphenylsilylethoxy)phenyl]ethenyl]phenoxy]ethyl-triphenylsilane?
The IUPAC name of 2-[2-[(E)-1,2-bis(2-methoxyphenyl)-2-[2-(2-triphenylsilylethoxy)phenyl]ethenyl]phenoxy]ethyl-triphenylsilane (CID 102512329) is 2-[2-[(E)-1,2-bis(2-methoxyphenyl)-2-[2-(2-triphenylsilylethoxy)phenyl]ethenyl]phenoxy]ethyl-triphenylsilane.
What is the SMILES notation for 2-[2-[(E)-1,2-bis(2-methoxyphenyl)-2-[2-(2-triphenylsilylethoxy)phenyl]ethenyl]phenoxy]ethyl-triphenylsilane?
The canonical SMILES for 2-[2-[(E)-1,2-bis(2-methoxyphenyl)-2-[2-(2-triphenylsilylethoxy)phenyl]ethenyl]phenoxy]ethyl-triphenylsilane is COc1ccccc1/C(=C(/c1ccccc1OC)c1ccccc1OCC[Si](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1OCC[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[2-[(E)-1,2-bis(2-methoxyphenyl)-2-[2-(2-triphenylsilylethoxy)phenyl]ethenyl]phenoxy]ethyl-triphenylsilane?
The InChIKey is RTCIIBLCBNALMV-KSSWCAPESA-N. The full InChI is InChI=1S/C68H60O4Si2/c1-69-63-45-25-21-41-59(63)67(61-43-23-27-47-65(61)71-49-51-73(53-29-9-3-10-30-53,54-31-11-4-12-32-54)55-33-13-5-14-34-55)68(60-42-22-26-46-64(60)70-2)62-44-24-28-48-66(62)72-50-52-74(56-35-15-6-16-36-56,57-37-17-7-18-38-57)58-39-19-8-20-40-58/h3-48H,49-52H2,1-2H3/b68-67+.
What are the key properties of 2-[2-[(E)-1,2-bis(2-methoxyphenyl)-2-[2-(2-triphenylsilylethoxy)phenyl]ethenyl]phenoxy]ethyl-triphenylsilane?
2-[2-[(E)-1,2-bis(2-methoxyphenyl)-2-[2-(2-triphenylsilylethoxy)phenyl]ethenyl]phenoxy]ethyl-triphenylsilane has a molecular weight of 997.40 g/mol, XLogP of 11.81, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-1,2-bis(2-methoxyphenyl)-2-[2-(2-triphenylsilylethoxy)phenyl]ethenyl]phenoxy]ethyl-triphenylsilane is sourced from PubChem (CID 102512329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).