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

C16H10I2S2 — CID 53330304

IUPAC2-iodo-5-[5-[(E)-2-(4-iodophenyl)ethenyl]thiophen-2-yl]thiophene
SMILESIc1ccc(/C=C/c2ccc(-c3ccc(I)s3)s2)cc1
InChIInChI=1S/C16H10I2S2/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+
InChIKeyCACUXHCMRKYGKP-ZZXKWVIFSA-N
MW520.20 g/mol
LogP6.86
Rot. Bonds3

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

2-iodo-5-[5-[(E)-2-(4-iodophenyl)ethenyl]thiophen-2-yl]thiophene (PubChem CID 53330304) has the molecular formula C16H10I2S2 and a molecular weight of 520.20 g/mol. Its IUPAC name is 2-iodo-5-[5-[(E)-2-(4-iodophenyl)ethenyl]thiophen-2-yl]thiophene.

Molecular Properties

Compound Name2-iodo-5-[5-[(E)-2-(4-iodophenyl)ethenyl]thiophen-2-yl]thiophene
PubChem CID53330304
Molecular FormulaC16H10I2S2
Molecular Weight520.20 g/mol
Exact Mass519.83
IUPAC Name2-iodo-5-[5-[(E)-2-(4-iodophenyl)ethenyl]thiophen-2-yl]thiophene
SMILESIc1ccc(/C=C/c2ccc(-c3ccc(I)s3)s2)cc1
InChIInChI=1S/C16H10I2S2/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+
InChIKeyCACUXHCMRKYGKP-ZZXKWVIFSA-N
XLogP6.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.20
LogP ≤ 56.86
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-iodo-5-[5-[(E)-2-(4-iodophenyl)ethenyl]thiophen-2-yl]thiophene?
The IUPAC name of 2-iodo-5-[5-[(E)-2-(4-iodophenyl)ethenyl]thiophen-2-yl]thiophene (CID 53330304) is 2-iodo-5-[5-[(E)-2-(4-iodophenyl)ethenyl]thiophen-2-yl]thiophene.
What is the SMILES notation for 2-iodo-5-[5-[(E)-2-(4-iodophenyl)ethenyl]thiophen-2-yl]thiophene?
The canonical SMILES for 2-iodo-5-[5-[(E)-2-(4-iodophenyl)ethenyl]thiophen-2-yl]thiophene is Ic1ccc(/C=C/c2ccc(-c3ccc(I)s3)s2)cc1.
What is the InChIKey of 2-iodo-5-[5-[(E)-2-(4-iodophenyl)ethenyl]thiophen-2-yl]thiophene?
The InChIKey is CACUXHCMRKYGKP-ZZXKWVIFSA-N. The full InChI is InChI=1S/C16H10I2S2/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-iodo-5-[5-[(E)-2-(4-iodophenyl)ethenyl]thiophen-2-yl]thiophene?
2-iodo-5-[5-[(E)-2-(4-iodophenyl)ethenyl]thiophen-2-yl]thiophene has a molecular weight of 520.20 g/mol, XLogP of 6.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-5-[5-[(E)-2-(4-iodophenyl)ethenyl]thiophen-2-yl]thiophene is sourced from PubChem (CID 53330304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).