[(E)-1-[4-[(E)-1,2-bis[dimethyl(phenylsulfanylmethyl)silyl]ethenyl]phenyl]-2-[dimethyl(phenylsulfanylmethyl)silyl]ethenyl]-dimethyl-(phenylsulfanylmethyl)silane

C46H58S4Si4 — CID 101397656

IUPAC[(E)-1-[4-[(E)-1,2-bis[dimethyl(phenylsulfanylmethyl)silyl]ethenyl]phenyl]-2-[dimethyl(phenylsulfanylmethyl)silyl]ethenyl]-dimethyl-(phenylsulfanylmethyl)silane
SMILESC[Si](C)(/C=C(\c1ccc(/C(=C\[Si](C)(C)CSc2ccccc2)[Si](C)(C)CSc2ccccc2)cc1)[Si](C)(C)CSc1ccccc1)CSc1ccccc1
InChIInChI=1S/C46H58S4Si4/c1-51(2,35-47-41-21-13-9-14-22-41)33-45(53(5,6)37-49-43-25-17-11-18-26-43)39-29-31-40(32-30-39)46(54(7,8)38-50-44-27-19-12-20-28-44)34-52(3,4)36-48-42-23-15-10-16-24-42/h9-34H,35-38H2,1-8H3/b45-33+,46-34+
InChIKeyZHYLTTHQVICCGY-NCOOAAOESA-N
MW851.58 g/mol
LogP14.77
Rot. Bonds18

About [(E)-1-[4-[(E)-1,2-bis[dimethyl(phenylsulfanylmethyl)silyl]ethenyl]phenyl]-2-[dimethyl(phenylsulfanylmethyl)silyl]ethenyl]-dimethyl-(phenylsulfanylmethyl)silane

[(E)-1-[4-[(E)-1,2-bis[dimethyl(phenylsulfanylmethyl)silyl]ethenyl]phenyl]-2-[dimethyl(phenylsulfanylmethyl)silyl]ethenyl]-dimethyl-(phenylsulfanylmethyl)silane (PubChem CID 101397656) has the molecular formula C46H58S4Si4 and a molecular weight of 851.58 g/mol. Its IUPAC name is [(E)-1-[4-[(E)-1,2-bis[dimethyl(phenylsulfanylmethyl)silyl]ethenyl]phenyl]-2-[dimethyl(phenylsulfanylmethyl)silyl]ethenyl]-dimethyl-(phenylsulfanylmethyl)silane.

Molecular Properties

Compound Name[(E)-1-[4-[(E)-1,2-bis[dimethyl(phenylsulfanylmethyl)silyl]ethenyl]phenyl]-2-[dimethyl(phenylsulfanylmethyl)silyl]ethenyl]-dimethyl-(phenylsulfanylmethyl)silane
PubChem CID101397656
Molecular FormulaC46H58S4Si4
Molecular Weight851.58 g/mol
Exact Mass850.25
IUPAC Name[(E)-1-[4-[(E)-1,2-bis[dimethyl(phenylsulfanylmethyl)silyl]ethenyl]phenyl]-2-[dimethyl(phenylsulfanylmethyl)silyl]ethenyl]-dimethyl-(phenylsulfanylmethyl)silane
SMILESC[Si](C)(/C=C(\c1ccc(/C(=C\[Si](C)(C)CSc2ccccc2)[Si](C)(C)CSc2ccccc2)cc1)[Si](C)(C)CSc1ccccc1)CSc1ccccc1
InChIInChI=1S/C46H58S4Si4/c1-51(2,35-47-41-21-13-9-14-22-41)33-45(53(5,6)37-49-43-25-17-11-18-26-43)39-29-31-40(32-30-39)46(54(7,8)38-50-44-27-19-12-20-28-44)34-52(3,4)36-48-42-23-15-10-16-24-42/h9-34H,35-38H2,1-8H3/b45-33+,46-34+
InChIKeyZHYLTTHQVICCGY-NCOOAAOESA-N
XLogP14.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500851.58
LogP ≤ 514.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 [(E)-1-[4-[(E)-1,2-bis[dimethyl(phenylsulfanylmethyl)silyl]ethenyl]phenyl]-2-[dimethyl(phenylsulfanylmethyl)silyl]ethenyl]-dimethyl-(phenylsulfanylmethyl)silane?
The IUPAC name of [(E)-1-[4-[(E)-1,2-bis[dimethyl(phenylsulfanylmethyl)silyl]ethenyl]phenyl]-2-[dimethyl(phenylsulfanylmethyl)silyl]ethenyl]-dimethyl-(phenylsulfanylmethyl)silane (CID 101397656) is [(E)-1-[4-[(E)-1,2-bis[dimethyl(phenylsulfanylmethyl)silyl]ethenyl]phenyl]-2-[dimethyl(phenylsulfanylmethyl)silyl]ethenyl]-dimethyl-(phenylsulfanylmethyl)silane.
What is the SMILES notation for [(E)-1-[4-[(E)-1,2-bis[dimethyl(phenylsulfanylmethyl)silyl]ethenyl]phenyl]-2-[dimethyl(phenylsulfanylmethyl)silyl]ethenyl]-dimethyl-(phenylsulfanylmethyl)silane?
The canonical SMILES for [(E)-1-[4-[(E)-1,2-bis[dimethyl(phenylsulfanylmethyl)silyl]ethenyl]phenyl]-2-[dimethyl(phenylsulfanylmethyl)silyl]ethenyl]-dimethyl-(phenylsulfanylmethyl)silane is C[Si](C)(/C=C(\c1ccc(/C(=C\[Si](C)(C)CSc2ccccc2)[Si](C)(C)CSc2ccccc2)cc1)[Si](C)(C)CSc1ccccc1)CSc1ccccc1.
What is the InChIKey of [(E)-1-[4-[(E)-1,2-bis[dimethyl(phenylsulfanylmethyl)silyl]ethenyl]phenyl]-2-[dimethyl(phenylsulfanylmethyl)silyl]ethenyl]-dimethyl-(phenylsulfanylmethyl)silane?
The InChIKey is ZHYLTTHQVICCGY-NCOOAAOESA-N. The full InChI is InChI=1S/C46H58S4Si4/c1-51(2,35-47-41-21-13-9-14-22-41)33-45(53(5,6)37-49-43-25-17-11-18-26-43)39-29-31-40(32-30-39)46(54(7,8)38-50-44-27-19-12-20-28-44)34-52(3,4)36-48-42-23-15-10-16-24-42/h9-34H,35-38H2,1-8H3/b45-33+,46-34+.
What are the key properties of [(E)-1-[4-[(E)-1,2-bis[dimethyl(phenylsulfanylmethyl)silyl]ethenyl]phenyl]-2-[dimethyl(phenylsulfanylmethyl)silyl]ethenyl]-dimethyl-(phenylsulfanylmethyl)silane?
[(E)-1-[4-[(E)-1,2-bis[dimethyl(phenylsulfanylmethyl)silyl]ethenyl]phenyl]-2-[dimethyl(phenylsulfanylmethyl)silyl]ethenyl]-dimethyl-(phenylsulfanylmethyl)silane has a molecular weight of 851.58 g/mol, XLogP of 14.77, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-[4-[(E)-1,2-bis[dimethyl(phenylsulfanylmethyl)silyl]ethenyl]phenyl]-2-[dimethyl(phenylsulfanylmethyl)silyl]ethenyl]-dimethyl-(phenylsulfanylmethyl)silane is sourced from PubChem (CID 101397656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).