3-bromo-2-(4-tert-butylphenyl)-5-thiophen-2-ylthiophene

C18H17BrS2 — CID 89484063

IUPAC3-bromo-2-(4-tert-butylphenyl)-5-thiophen-2-ylthiophene
SMILESCC(C)(C)c1ccc(-c2sc(-c3cccs3)cc2Br)cc1
InChIInChI=1S/C18H17BrS2/c1-18(2,3)13-8-6-12(7-9-13)17-14(19)11-16(21-17)15-5-4-10-20-15/h4-11H,1-3H3
InChIKeySIHGFYWPAKGOSC-UHFFFAOYSA-N
MW377.37 g/mol
LogP7.20
Rot. Bonds2

About 3-bromo-2-(4-tert-butylphenyl)-5-thiophen-2-ylthiophene

3-bromo-2-(4-tert-butylphenyl)-5-thiophen-2-ylthiophene (PubChem CID 89484063) has the molecular formula C18H17BrS2 and a molecular weight of 377.37 g/mol. Its IUPAC name is 3-bromo-2-(4-tert-butylphenyl)-5-thiophen-2-ylthiophene.

Molecular Properties

Compound Name3-bromo-2-(4-tert-butylphenyl)-5-thiophen-2-ylthiophene
PubChem CID89484063
Molecular FormulaC18H17BrS2
Molecular Weight377.37 g/mol
Exact Mass376.00
IUPAC Name3-bromo-2-(4-tert-butylphenyl)-5-thiophen-2-ylthiophene
SMILESCC(C)(C)c1ccc(-c2sc(-c3cccs3)cc2Br)cc1
InChIInChI=1S/C18H17BrS2/c1-18(2,3)13-8-6-12(7-9-13)17-14(19)11-16(21-17)15-5-4-10-20-15/h4-11H,1-3H3
InChIKeySIHGFYWPAKGOSC-UHFFFAOYSA-N
XLogP7.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.37
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(4-tert-butylphenyl)phenyl]thiophene
CID 174720161
2,3-dibromo-5-thiophen-2-ylthiophene
CID 24796079
3-bromo-2,5-bis(4-tert-butylthiophen-2-yl)thiophene;3-bromo-2,5-bis(5-tert-butylthiophen-2-yl)thiophene;3-bromo-2,5-dithiophen-2-ylthiophene;2-chloro-2-methylpropane;methane;trichloroalumane;yttrium
CID 164981431
N-(4-tert-butylphenyl)-4-[4-[N-(4-tert-butylphenyl)-4-[4-[4-(5-thiophen-2-ylthiophen-2-yl)-N-[4-(5-thiophen-2-ylthiophen-2-yl)phenyl]anilino]phenyl]anilino]phenyl]-N-methylaniline
CID 58825535
3-bromo-5-(5-tert-butylthiophen-2-yl)-2-(4-methoxyphenyl)thiophene;3-bromo-2-(4-methoxyphenyl)-5-thiophen-2-ylthiophene;5-(5-tert-butylthiophen-2-yl)-3-[2-[5-(5-tert-butylthiophen-2-yl)-2-(4-methoxyphenyl)thiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2-(4-methoxyphenyl)thiophene;3,5-dibromo-2-(4-methoxyphenyl)thiophene;2-methylthiophene;sulfanylidene-[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane
CID 159008080
3,4-ditert-butyl-2,5-dithiophen-2-ylthiophene
CID 15778420
3-methyl-2-[5-[5-(3-methyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophene
CID 59476051
3-methylsulfanyl-2,5-dithiophen-2-ylthiophene
CID 15273180
methyl 4-bromo-5-thiophen-2-ylthiophene-2-carboxylate
CID 165446793
2-[3-(3,5-dithiophen-2-ylphenyl)-5-thiophen-2-ylphenyl]thiophene
CID 25194793
2,5-bis(2-bromo-6-thiophen-2-ylphenyl)-1,4-bis(4-tert-butylphenyl)pyrrolo[3,2-b]pyrrole
CID 132505063
13,14,15,16-tetrakis(4-tert-butylphenyl)-4-[13,14,15,16-tetrakis(4-tert-butylphenyl)-3,10-dithiatetracyclo[10.4.0.02,6.07,11]hexadeca-1,4,6,8,11,13,15-heptaen-4-yl]-3,10-dithiatetracyclo[10.4.0.02,6.07,11]hexadeca-1,4,6,8,11,13,15-heptaene
CID 54597726

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(4-tert-butylphenyl)-5-thiophen-2-ylthiophene?
The IUPAC name of 3-bromo-2-(4-tert-butylphenyl)-5-thiophen-2-ylthiophene (CID 89484063) is 3-bromo-2-(4-tert-butylphenyl)-5-thiophen-2-ylthiophene.
What is the SMILES notation for 3-bromo-2-(4-tert-butylphenyl)-5-thiophen-2-ylthiophene?
The canonical SMILES for 3-bromo-2-(4-tert-butylphenyl)-5-thiophen-2-ylthiophene is CC(C)(C)c1ccc(-c2sc(-c3cccs3)cc2Br)cc1.
What is the InChIKey of 3-bromo-2-(4-tert-butylphenyl)-5-thiophen-2-ylthiophene?
The InChIKey is SIHGFYWPAKGOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrS2/c1-18(2,3)13-8-6-12(7-9-13)17-14(19)11-16(21-17)15-5-4-10-20-15/h4-11H,1-3H3.
What are the key properties of 3-bromo-2-(4-tert-butylphenyl)-5-thiophen-2-ylthiophene?
3-bromo-2-(4-tert-butylphenyl)-5-thiophen-2-ylthiophene has a molecular weight of 377.37 g/mol, XLogP of 7.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(4-tert-butylphenyl)-5-thiophen-2-ylthiophene is sourced from PubChem (CID 89484063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).