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

C16H10BrIS2 — CID 46850754

IUPAC2-[(E)-2-(4-bromophenyl)ethenyl]-5-(5-iodothiophen-2-yl)thiophene
SMILESBrc1ccc(/C=C/c2ccc(-c3ccc(I)s3)s2)cc1
InChIInChI=1S/C16H10BrIS2/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+
InChIKeyRFAGYJBVJSOTTL-ZZXKWVIFSA-N
MW473.20 g/mol
LogP7.01
Rot. Bonds3

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

2-[(E)-2-(4-bromophenyl)ethenyl]-5-(5-iodothiophen-2-yl)thiophene (PubChem CID 46850754) has the molecular formula C16H10BrIS2 and a molecular weight of 473.20 g/mol. Its IUPAC name is 2-[(E)-2-(4-bromophenyl)ethenyl]-5-(5-iodothiophen-2-yl)thiophene.

Molecular Properties

Compound Name2-[(E)-2-(4-bromophenyl)ethenyl]-5-(5-iodothiophen-2-yl)thiophene
PubChem CID46850754
Molecular FormulaC16H10BrIS2
Molecular Weight473.20 g/mol
Exact Mass471.85
IUPAC Name2-[(E)-2-(4-bromophenyl)ethenyl]-5-(5-iodothiophen-2-yl)thiophene
SMILESBrc1ccc(/C=C/c2ccc(-c3ccc(I)s3)s2)cc1
InChIInChI=1S/C16H10BrIS2/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+
InChIKeyRFAGYJBVJSOTTL-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-[(E)-2-(4-bromophenyl)ethenyl]-5-(5-iodothiophen-2-yl)thiophene?
The IUPAC name of 2-[(E)-2-(4-bromophenyl)ethenyl]-5-(5-iodothiophen-2-yl)thiophene (CID 46850754) is 2-[(E)-2-(4-bromophenyl)ethenyl]-5-(5-iodothiophen-2-yl)thiophene.
What is the SMILES notation for 2-[(E)-2-(4-bromophenyl)ethenyl]-5-(5-iodothiophen-2-yl)thiophene?
The canonical SMILES for 2-[(E)-2-(4-bromophenyl)ethenyl]-5-(5-iodothiophen-2-yl)thiophene is Brc1ccc(/C=C/c2ccc(-c3ccc(I)s3)s2)cc1.
What is the InChIKey of 2-[(E)-2-(4-bromophenyl)ethenyl]-5-(5-iodothiophen-2-yl)thiophene?
The InChIKey is RFAGYJBVJSOTTL-ZZXKWVIFSA-N. The full InChI is InChI=1S/C16H10BrIS2/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-[(E)-2-(4-bromophenyl)ethenyl]-5-(5-iodothiophen-2-yl)thiophene?
2-[(E)-2-(4-bromophenyl)ethenyl]-5-(5-iodothiophen-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-[(E)-2-(4-bromophenyl)ethenyl]-5-(5-iodothiophen-2-yl)thiophene is sourced from PubChem (CID 46850754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).