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

C16H10Br2S2 — CID 53330122

IUPAC2-bromo-5-[5-[(E)-2-(4-bromophenyl)ethenyl]thiophen-2-yl]thiophene
SMILESBrc1ccc(/C=C/c2ccc(-c3ccc(Br)s3)s2)cc1
InChIInChI=1S/C16H10Br2S2/c17-12-4-1-11(2-5-12)3-6-13-7-8-14(19-13)15-9-10-16(18)20-15/h1-10H/b6-3+
InChIKeyYJEBBCOGKQHMNS-ZZXKWVIFSA-N
MW426.20 g/mol
LogP7.17
Rot. Bonds3

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

2-bromo-5-[5-[(E)-2-(4-bromophenyl)ethenyl]thiophen-2-yl]thiophene (PubChem CID 53330122) has the molecular formula C16H10Br2S2 and a molecular weight of 426.20 g/mol. Its IUPAC name is 2-bromo-5-[5-[(E)-2-(4-bromophenyl)ethenyl]thiophen-2-yl]thiophene.

Molecular Properties

Compound Name2-bromo-5-[5-[(E)-2-(4-bromophenyl)ethenyl]thiophen-2-yl]thiophene
PubChem CID53330122
Molecular FormulaC16H10Br2S2
Molecular Weight426.20 g/mol
Exact Mass423.86
IUPAC Name2-bromo-5-[5-[(E)-2-(4-bromophenyl)ethenyl]thiophen-2-yl]thiophene
SMILESBrc1ccc(/C=C/c2ccc(-c3ccc(Br)s3)s2)cc1
InChIInChI=1S/C16H10Br2S2/c17-12-4-1-11(2-5-12)3-6-13-7-8-14(19-13)15-9-10-16(18)20-15/h1-10H/b6-3+
InChIKeyYJEBBCOGKQHMNS-ZZXKWVIFSA-N
XLogP7.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.20
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[5-[(E)-2-(4-bromophenyl)ethenyl]thiophen-2-yl]thiophene?
The IUPAC name of 2-bromo-5-[5-[(E)-2-(4-bromophenyl)ethenyl]thiophen-2-yl]thiophene (CID 53330122) is 2-bromo-5-[5-[(E)-2-(4-bromophenyl)ethenyl]thiophen-2-yl]thiophene.
What is the SMILES notation for 2-bromo-5-[5-[(E)-2-(4-bromophenyl)ethenyl]thiophen-2-yl]thiophene?
The canonical SMILES for 2-bromo-5-[5-[(E)-2-(4-bromophenyl)ethenyl]thiophen-2-yl]thiophene is Brc1ccc(/C=C/c2ccc(-c3ccc(Br)s3)s2)cc1.
What is the InChIKey of 2-bromo-5-[5-[(E)-2-(4-bromophenyl)ethenyl]thiophen-2-yl]thiophene?
The InChIKey is YJEBBCOGKQHMNS-ZZXKWVIFSA-N. The full InChI is InChI=1S/C16H10Br2S2/c17-12-4-1-11(2-5-12)3-6-13-7-8-14(19-13)15-9-10-16(18)20-15/h1-10H/b6-3+.
What are the key properties of 2-bromo-5-[5-[(E)-2-(4-bromophenyl)ethenyl]thiophen-2-yl]thiophene?
2-bromo-5-[5-[(E)-2-(4-bromophenyl)ethenyl]thiophen-2-yl]thiophene has a molecular weight of 426.20 g/mol, XLogP of 7.17, 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-bromophenyl)ethenyl]thiophen-2-yl]thiophene is sourced from PubChem (CID 53330122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).