[2,2-bis[(3-bromophenyl)methylsulfanyl]-1-[dimethyl(phenyl)silyl]ethenyl]-dimethyl-phenylsilane

C32H34Br2S2Si2 — CID 122379378

IUPAC[2,2-bis[(3-bromophenyl)methylsulfanyl]-1-[dimethyl(phenyl)silyl]ethenyl]-dimethyl-phenylsilane
SMILESC[Si](C)(C(=C(SCc1cccc(Br)c1)SCc1cccc(Br)c1)[Si](C)(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C32H34Br2S2Si2/c1-37(2,29-17-7-5-8-18-29)32(38(3,4)30-19-9-6-10-20-30)31(35-23-25-13-11-15-27(33)21-25)36-24-26-14-12-16-28(34)22-26/h5-22H,23-24H2,1-4H3
InChIKeyFKZCOYMHSNAHJS-UHFFFAOYSA-N
MW698.74 g/mol
LogP9.90
Rot. Bonds10

About [2,2-bis[(3-bromophenyl)methylsulfanyl]-1-[dimethyl(phenyl)silyl]ethenyl]-dimethyl-phenylsilane

[2,2-bis[(3-bromophenyl)methylsulfanyl]-1-[dimethyl(phenyl)silyl]ethenyl]-dimethyl-phenylsilane (PubChem CID 122379378) has the molecular formula C32H34Br2S2Si2 and a molecular weight of 698.74 g/mol. Its IUPAC name is [2,2-bis[(3-bromophenyl)methylsulfanyl]-1-[dimethyl(phenyl)silyl]ethenyl]-dimethyl-phenylsilane.

Molecular Properties

Compound Name[2,2-bis[(3-bromophenyl)methylsulfanyl]-1-[dimethyl(phenyl)silyl]ethenyl]-dimethyl-phenylsilane
PubChem CID122379378
Molecular FormulaC32H34Br2S2Si2
Molecular Weight698.74 g/mol
Exact Mass696.00
IUPAC Name[2,2-bis[(3-bromophenyl)methylsulfanyl]-1-[dimethyl(phenyl)silyl]ethenyl]-dimethyl-phenylsilane
SMILESC[Si](C)(C(=C(SCc1cccc(Br)c1)SCc1cccc(Br)c1)[Si](C)(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C32H34Br2S2Si2/c1-37(2,29-17-7-5-8-18-29)32(38(3,4)30-19-9-6-10-20-30)31(35-23-25-13-11-15-27(33)21-25)36-24-26-14-12-16-28(34)22-26/h5-22H,23-24H2,1-4H3
InChIKeyFKZCOYMHSNAHJS-UHFFFAOYSA-N
XLogP9.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.74
LogP ≤ 59.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(3-bromophenyl)-dimethylsilane
CID 86171325
1-bromo-3-(ethylsulfanylmethyl)benzene
CID 60643993
1-bromo-3-(tert-butylsulfanylmethyl)benzene
CID 60645629
1-bromo-3-(propylsulfanylmethyl)benzene
CID 60645412
2-[2-[(3-bromophenyl)methylsulfanyl]benzimidazol-1-yl]acetic acid
CID 70688381
[4-[(3-bromophenyl)sulfanylmethyl]phenyl]-trimethylsilane
CID 103438773
1-bromo-3-ethylbenzene;ethane
CID 143778556
(3-bromophenyl)-triphenylsilane
CID 158328099
1-bromo-3-ethylbenzene;methane
CID 158533972
2-[(3-bromophenyl)methylsulfanyl]propanamide
CID 47095045
1-[(3-bromophenyl)methylsulfanyl]-3-methylbutan-2-one
CID 58963747
1-bromo-3-(bromomethyl)benzene;(3-bromophenyl)methanol;bis((3-bromophenyl)methyl carbamimidothioate);dihydrobromide
CID 158566563

Frequently Asked Questions

What is the IUPAC name of [2,2-bis[(3-bromophenyl)methylsulfanyl]-1-[dimethyl(phenyl)silyl]ethenyl]-dimethyl-phenylsilane?
The IUPAC name of [2,2-bis[(3-bromophenyl)methylsulfanyl]-1-[dimethyl(phenyl)silyl]ethenyl]-dimethyl-phenylsilane (CID 122379378) is [2,2-bis[(3-bromophenyl)methylsulfanyl]-1-[dimethyl(phenyl)silyl]ethenyl]-dimethyl-phenylsilane.
What is the SMILES notation for [2,2-bis[(3-bromophenyl)methylsulfanyl]-1-[dimethyl(phenyl)silyl]ethenyl]-dimethyl-phenylsilane?
The canonical SMILES for [2,2-bis[(3-bromophenyl)methylsulfanyl]-1-[dimethyl(phenyl)silyl]ethenyl]-dimethyl-phenylsilane is C[Si](C)(C(=C(SCc1cccc(Br)c1)SCc1cccc(Br)c1)[Si](C)(C)c1ccccc1)c1ccccc1.
What is the InChIKey of [2,2-bis[(3-bromophenyl)methylsulfanyl]-1-[dimethyl(phenyl)silyl]ethenyl]-dimethyl-phenylsilane?
The InChIKey is FKZCOYMHSNAHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34Br2S2Si2/c1-37(2,29-17-7-5-8-18-29)32(38(3,4)30-19-9-6-10-20-30)31(35-23-25-13-11-15-27(33)21-25)36-24-26-14-12-16-28(34)22-26/h5-22H,23-24H2,1-4H3.
What are the key properties of [2,2-bis[(3-bromophenyl)methylsulfanyl]-1-[dimethyl(phenyl)silyl]ethenyl]-dimethyl-phenylsilane?
[2,2-bis[(3-bromophenyl)methylsulfanyl]-1-[dimethyl(phenyl)silyl]ethenyl]-dimethyl-phenylsilane has a molecular weight of 698.74 g/mol, XLogP of 9.90, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-bis[(3-bromophenyl)methylsulfanyl]-1-[dimethyl(phenyl)silyl]ethenyl]-dimethyl-phenylsilane is sourced from PubChem (CID 122379378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).