2-bromo-5-[5-[(E)-2-(4-tert-butylphenyl)ethenyl]thiophen-2-yl]thiophene

C20H19BrS2 — CID 46850588

IUPAC2-bromo-5-[5-[(E)-2-(4-tert-butylphenyl)ethenyl]thiophen-2-yl]thiophene
SMILESCC(C)(C)c1ccc(/C=C/c2ccc(-c3ccc(Br)s3)s2)cc1
InChIInChI=1S/C20H19BrS2/c1-20(2,3)15-7-4-14(5-8-15)6-9-16-10-11-17(22-16)18-12-13-19(21)23-18/h4-13H,1-3H3/b9-6+
InChIKeyHBVLZUNQVJZELT-RMKNXTFCSA-N
MW403.41 g/mol
LogP7.71
Rot. Bonds3

About 2-bromo-5-[5-[(E)-2-(4-tert-butylphenyl)ethenyl]thiophen-2-yl]thiophene

2-bromo-5-[5-[(E)-2-(4-tert-butylphenyl)ethenyl]thiophen-2-yl]thiophene (PubChem CID 46850588) has the molecular formula C20H19BrS2 and a molecular weight of 403.41 g/mol. Its IUPAC name is 2-bromo-5-[5-[(E)-2-(4-tert-butylphenyl)ethenyl]thiophen-2-yl]thiophene.

Molecular Properties

Compound Name2-bromo-5-[5-[(E)-2-(4-tert-butylphenyl)ethenyl]thiophen-2-yl]thiophene
PubChem CID46850588
Molecular FormulaC20H19BrS2
Molecular Weight403.41 g/mol
Exact Mass402.01
IUPAC Name2-bromo-5-[5-[(E)-2-(4-tert-butylphenyl)ethenyl]thiophen-2-yl]thiophene
SMILESCC(C)(C)c1ccc(/C=C/c2ccc(-c3ccc(Br)s3)s2)cc1
InChIInChI=1S/C20H19BrS2/c1-20(2,3)15-7-4-14(5-8-15)6-9-16-10-11-17(22-16)18-12-13-19(21)23-18/h4-13H,1-3H3/b9-6+
InChIKeyHBVLZUNQVJZELT-RMKNXTFCSA-N
XLogP7.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.41
LogP ≤ 57.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(E)-2-(4-tert-butylphenyl)ethenyl]-5-thiophen-2-ylthiophene
CID 46850582
2-bromo-5-[5-[(E)-2-(4-methylphenyl)ethenyl]thiophen-2-yl]thiophene
CID 46850586
2-[(E)-2-(4-bromophenyl)ethenyl]-5-(5-iodothiophen-2-yl)thiophene
CID 46850754
2-[(E)-2-(4-bromophenyl)ethenyl]-5-thiophen-2-ylthiophene
CID 53329956
2-bromo-5-[5-[(E)-2-(4-fluorophenyl)ethenyl]thiophen-2-yl]thiophene
CID 53330121
2-bromo-5-[5-[(E)-2-(4-bromophenyl)ethenyl]thiophen-2-yl]thiophene
CID 53330122
2-bromo-5-[5-[(E)-2-(4-iodophenyl)ethenyl]thiophen-2-yl]thiophene
CID 53330123
2-bromo-5-[5-[(E)-2-phenylethenyl]thiophen-2-yl]thiophene
CID 46850583
2-[(E)-2-(4-tert-butylphenyl)ethenyl]-5-(5-iodothiophen-2-yl)thiophene
CID 53330306
2,2'-Dibromo-3,3'-bis(n-tetradecyl)-5,5'-bithiophene
CID 67025022
2-Methyl-5-[1-(5-methylthiophen-2-yl)-3-phenylpropyl]thiophene
CID 90682393
5,5'-Dibromo-4,4'-didodecyl-2,2'-bithiophene
CID 21917267

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[5-[(E)-2-(4-tert-butylphenyl)ethenyl]thiophen-2-yl]thiophene?
The IUPAC name of 2-bromo-5-[5-[(E)-2-(4-tert-butylphenyl)ethenyl]thiophen-2-yl]thiophene (CID 46850588) is 2-bromo-5-[5-[(E)-2-(4-tert-butylphenyl)ethenyl]thiophen-2-yl]thiophene.
What is the SMILES notation for 2-bromo-5-[5-[(E)-2-(4-tert-butylphenyl)ethenyl]thiophen-2-yl]thiophene?
The canonical SMILES for 2-bromo-5-[5-[(E)-2-(4-tert-butylphenyl)ethenyl]thiophen-2-yl]thiophene is CC(C)(C)c1ccc(/C=C/c2ccc(-c3ccc(Br)s3)s2)cc1.
What is the InChIKey of 2-bromo-5-[5-[(E)-2-(4-tert-butylphenyl)ethenyl]thiophen-2-yl]thiophene?
The InChIKey is HBVLZUNQVJZELT-RMKNXTFCSA-N. The full InChI is InChI=1S/C20H19BrS2/c1-20(2,3)15-7-4-14(5-8-15)6-9-16-10-11-17(22-16)18-12-13-19(21)23-18/h4-13H,1-3H3/b9-6+.
What are the key properties of 2-bromo-5-[5-[(E)-2-(4-tert-butylphenyl)ethenyl]thiophen-2-yl]thiophene?
2-bromo-5-[5-[(E)-2-(4-tert-butylphenyl)ethenyl]thiophen-2-yl]thiophene has a molecular weight of 403.41 g/mol, XLogP of 7.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[5-[(E)-2-(4-tert-butylphenyl)ethenyl]thiophen-2-yl]thiophene is sourced from PubChem (CID 46850588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).