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

C16H10BrIS2 — CID 53330123

IUPAC2-bromo-5-[5-[(E)-2-(4-iodophenyl)ethenyl]thiophen-2-yl]thiophene
SMILESBrc1ccc(-c2ccc(/C=C/c3ccc(I)cc3)s2)s1
InChIInChI=1S/C16H10BrIS2/c17-16-10-9-15(20-16)14-8-7-13(19-14)6-3-11-1-4-12(18)5-2-11/h1-10H/b6-3+
InChIKeyDNKPFNBYXUNOLF-ZZXKWVIFSA-N
MW473.20 g/mol
LogP7.01
Rot. Bonds3

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

2-bromo-5-[5-[(E)-2-(4-iodophenyl)ethenyl]thiophen-2-yl]thiophene (PubChem CID 53330123) has the molecular formula C16H10BrIS2 and a molecular weight of 473.20 g/mol. Its IUPAC name is 2-bromo-5-[5-[(E)-2-(4-iodophenyl)ethenyl]thiophen-2-yl]thiophene.

Molecular Properties

Compound Name2-bromo-5-[5-[(E)-2-(4-iodophenyl)ethenyl]thiophen-2-yl]thiophene
PubChem CID53330123
Molecular FormulaC16H10BrIS2
Molecular Weight473.20 g/mol
Exact Mass471.85
IUPAC Name2-bromo-5-[5-[(E)-2-(4-iodophenyl)ethenyl]thiophen-2-yl]thiophene
SMILESBrc1ccc(-c2ccc(/C=C/c3ccc(I)cc3)s2)s1
InChIInChI=1S/C16H10BrIS2/c17-16-10-9-15(20-16)14-8-7-13(19-14)6-3-11-1-4-12(18)5-2-11/h1-10H/b6-3+
InChIKeyDNKPFNBYXUNOLF-ZZXKWVIFSA-N
XLogP7.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.20
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[5-[(E)-2-(4-iodophenyl)ethenyl]thiophen-2-yl]thiophene?
The IUPAC name of 2-bromo-5-[5-[(E)-2-(4-iodophenyl)ethenyl]thiophen-2-yl]thiophene (CID 53330123) is 2-bromo-5-[5-[(E)-2-(4-iodophenyl)ethenyl]thiophen-2-yl]thiophene.
What is the SMILES notation for 2-bromo-5-[5-[(E)-2-(4-iodophenyl)ethenyl]thiophen-2-yl]thiophene?
The canonical SMILES for 2-bromo-5-[5-[(E)-2-(4-iodophenyl)ethenyl]thiophen-2-yl]thiophene is Brc1ccc(-c2ccc(/C=C/c3ccc(I)cc3)s2)s1.
What is the InChIKey of 2-bromo-5-[5-[(E)-2-(4-iodophenyl)ethenyl]thiophen-2-yl]thiophene?
The InChIKey is DNKPFNBYXUNOLF-ZZXKWVIFSA-N. The full InChI is InChI=1S/C16H10BrIS2/c17-16-10-9-15(20-16)14-8-7-13(19-14)6-3-11-1-4-12(18)5-2-11/h1-10H/b6-3+.
What are the key properties of 2-bromo-5-[5-[(E)-2-(4-iodophenyl)ethenyl]thiophen-2-yl]thiophene?
2-bromo-5-[5-[(E)-2-(4-iodophenyl)ethenyl]thiophen-2-yl]thiophene has a molecular weight of 473.20 g/mol, XLogP of 7.01, 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-iodophenyl)ethenyl]thiophen-2-yl]thiophene is sourced from PubChem (CID 53330123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).