[4-bromo-5-(3-bromo-5-methylthiophen-2-yl)thiophen-2-yl]-trimethylsilane;[5-(3-fluorothiophen-2-yl)thiophen-2-yl]-trimethylsilane

C23H27Br2FS4Si2 — CID 159067721

IUPAC[4-bromo-5-(3-bromo-5-methylthiophen-2-yl)thiophen-2-yl]-trimethylsilane;[5-(3-fluorothiophen-2-yl)thiophen-2-yl]-trimethylsilane
SMILESC[Si](C)(C)c1ccc(-c2sccc2F)s1.Cc1cc(Br)c(-c2sc([Si](C)(C)C)cc2Br)s1
InChIInChI=1S/C12H14Br2S2Si.C11H13FS2Si/c1-7-5-8(13)11(15-7)12-9(14)6-10(16-12)17(2,3)4;1-15(2,3)10-5-4-9(14-10)11-8(12)6-7-13-11/h5-6H,1-4H3;4-7H,1-3H3
InChIKeyJZGRWAXCOJXKLT-UHFFFAOYSA-N
MW666.72 g/mol
LogP10.02
Rot. Bonds4

About [4-bromo-5-(3-bromo-5-methylthiophen-2-yl)thiophen-2-yl]-trimethylsilane;[5-(3-fluorothiophen-2-yl)thiophen-2-yl]-trimethylsilane

[4-bromo-5-(3-bromo-5-methylthiophen-2-yl)thiophen-2-yl]-trimethylsilane;[5-(3-fluorothiophen-2-yl)thiophen-2-yl]-trimethylsilane (PubChem CID 159067721) has the molecular formula C23H27Br2FS4Si2 and a molecular weight of 666.72 g/mol. Its IUPAC name is [4-bromo-5-(3-bromo-5-methylthiophen-2-yl)thiophen-2-yl]-trimethylsilane;[5-(3-fluorothiophen-2-yl)thiophen-2-yl]-trimethylsilane.

Molecular Properties

Compound Name[4-bromo-5-(3-bromo-5-methylthiophen-2-yl)thiophen-2-yl]-trimethylsilane;[5-(3-fluorothiophen-2-yl)thiophen-2-yl]-trimethylsilane
PubChem CID159067721
Molecular FormulaC23H27Br2FS4Si2
Molecular Weight666.72 g/mol
Exact Mass663.89
IUPAC Name[4-bromo-5-(3-bromo-5-methylthiophen-2-yl)thiophen-2-yl]-trimethylsilane;[5-(3-fluorothiophen-2-yl)thiophen-2-yl]-trimethylsilane
SMILESC[Si](C)(C)c1ccc(-c2sccc2F)s1.Cc1cc(Br)c(-c2sc([Si](C)(C)C)cc2Br)s1
InChIInChI=1S/C12H14Br2S2Si.C11H13FS2Si/c1-7-5-8(13)11(15-7)12-9(14)6-10(16-12)17(2,3)4;1-15(2,3)10-5-4-9(14-10)11-8(12)6-7-13-11/h5-6H,1-4H3;4-7H,1-3H3
InChIKeyJZGRWAXCOJXKLT-UHFFFAOYSA-N
XLogP10.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.72
LogP ≤ 510.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[5-(3-fluorothiophen-2-yl)thiophen-2-yl]-trimethylsilane
CID 140824385
[4-bromo-5-(5-methylthiophen-2-yl)thiophen-2-yl]-trimethylsilane
CID 159208132
[5-[3-[5-[3-[5-[5-[5-[2,5-bis[5-[2,5-bis(5-trimethylsilylthiophen-2-yl)thiophen-3-yl]thiophen-2-yl]thiophen-3-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-[5-[2,5-bis(5-trimethylsilylthiophen-2-yl)thiophen-3-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-(5-trimethylsilylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-trimethylsilane
CID 176528085
[5-[4-[5-[2-[5-[4,5-bis(5-trimethylsilylthiophen-2-yl)thiophen-3-yl]thiophen-2-yl]thiophen-3-yl]thiophen-2-yl]-2-(5-trimethylsilylthiophen-2-yl)thiophen-3-yl]thiophen-2-yl]-trimethylsilane
CID 102469982
(3-bromo-5-methylthiophen-2-yl)-(3-bromothiophen-2-yl)methanone
CID 65279746
[5-[3-butyl-5-[4-butyl-5-[5-(4-butyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-trimethylsilane
CID 10700156
3-(3-bromo-5-methylthiophen-2-yl)-5-fluoroaniline
CID 107335564
[5-[5-fluoro-7-(5-trimethylstannylthiophen-2-yl)-2,1,3-benzothiadiazol-4-yl]thiophen-2-yl]-trimethylsilane
CID 153129697
5-methyl-2-(5-methylthiophen-2-yl)-3-(trifluoromethyl)thiophene
CID 118145673
trimethyl-[5-[5-[2-[5-[5-[2-[5-(5-trimethylsilylthiophen-2-yl)thiophen-2-yl]ethynyl]thiophen-2-yl]thiophen-2-yl]ethynyl]thiophen-2-yl]thiophen-2-yl]silane
CID 102053674
(3-bromothiophen-2-yl)-(2-fluoro-5-methylphenyl)methanone
CID 80535211
5-(3-bromothiophen-2-yl)-3-methyl-1,2-oxazole
CID 169499017

Frequently Asked Questions

What is the IUPAC name of [4-bromo-5-(3-bromo-5-methylthiophen-2-yl)thiophen-2-yl]-trimethylsilane;[5-(3-fluorothiophen-2-yl)thiophen-2-yl]-trimethylsilane?
The IUPAC name of [4-bromo-5-(3-bromo-5-methylthiophen-2-yl)thiophen-2-yl]-trimethylsilane;[5-(3-fluorothiophen-2-yl)thiophen-2-yl]-trimethylsilane (CID 159067721) is [4-bromo-5-(3-bromo-5-methylthiophen-2-yl)thiophen-2-yl]-trimethylsilane;[5-(3-fluorothiophen-2-yl)thiophen-2-yl]-trimethylsilane.
What is the SMILES notation for [4-bromo-5-(3-bromo-5-methylthiophen-2-yl)thiophen-2-yl]-trimethylsilane;[5-(3-fluorothiophen-2-yl)thiophen-2-yl]-trimethylsilane?
The canonical SMILES for [4-bromo-5-(3-bromo-5-methylthiophen-2-yl)thiophen-2-yl]-trimethylsilane;[5-(3-fluorothiophen-2-yl)thiophen-2-yl]-trimethylsilane is C[Si](C)(C)c1ccc(-c2sccc2F)s1.Cc1cc(Br)c(-c2sc([Si](C)(C)C)cc2Br)s1.
What is the InChIKey of [4-bromo-5-(3-bromo-5-methylthiophen-2-yl)thiophen-2-yl]-trimethylsilane;[5-(3-fluorothiophen-2-yl)thiophen-2-yl]-trimethylsilane?
The InChIKey is JZGRWAXCOJXKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Br2S2Si.C11H13FS2Si/c1-7-5-8(13)11(15-7)12-9(14)6-10(16-12)17(2,3)4;1-15(2,3)10-5-4-9(14-10)11-8(12)6-7-13-11/h5-6H,1-4H3;4-7H,1-3H3.
What are the key properties of [4-bromo-5-(3-bromo-5-methylthiophen-2-yl)thiophen-2-yl]-trimethylsilane;[5-(3-fluorothiophen-2-yl)thiophen-2-yl]-trimethylsilane?
[4-bromo-5-(3-bromo-5-methylthiophen-2-yl)thiophen-2-yl]-trimethylsilane;[5-(3-fluorothiophen-2-yl)thiophen-2-yl]-trimethylsilane has a molecular weight of 666.72 g/mol, XLogP of 10.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-5-(3-bromo-5-methylthiophen-2-yl)thiophen-2-yl]-trimethylsilane;[5-(3-fluorothiophen-2-yl)thiophen-2-yl]-trimethylsilane is sourced from PubChem (CID 159067721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).