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

C16H10ClIS2 — CID 53330302

IUPAC2-[(E)-2-(4-chlorophenyl)ethenyl]-5-(5-iodothiophen-2-yl)thiophene
SMILESClc1ccc(/C=C/c2ccc(-c3ccc(I)s3)s2)cc1
InChIInChI=1S/C16H10ClIS2/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+
InChIKeyUJNVLAGYWUNWES-ZZXKWVIFSA-N
MW428.75 g/mol
LogP6.91
Rot. Bonds3

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

2-[(E)-2-(4-chlorophenyl)ethenyl]-5-(5-iodothiophen-2-yl)thiophene (PubChem CID 53330302) has the molecular formula C16H10ClIS2 and a molecular weight of 428.75 g/mol. Its IUPAC name is 2-[(E)-2-(4-chlorophenyl)ethenyl]-5-(5-iodothiophen-2-yl)thiophene.

Molecular Properties

Compound Name2-[(E)-2-(4-chlorophenyl)ethenyl]-5-(5-iodothiophen-2-yl)thiophene
PubChem CID53330302
Molecular FormulaC16H10ClIS2
Molecular Weight428.75 g/mol
Exact Mass427.90
IUPAC Name2-[(E)-2-(4-chlorophenyl)ethenyl]-5-(5-iodothiophen-2-yl)thiophene
SMILESClc1ccc(/C=C/c2ccc(-c3ccc(I)s3)s2)cc1
InChIInChI=1S/C16H10ClIS2/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+
InChIKeyUJNVLAGYWUNWES-ZZXKWVIFSA-N
XLogP6.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.75
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-2-(4-chlorophenyl)ethenyl]-5-thiophen-2-ylthiophene
CID 15616762
2-[(E)-2-(4-iodophenyl)ethenyl]-5-thiophen-2-ylthiophene
CID 46850405
2-iodo-5-[5-[(E)-2-phenylethenyl]thiophen-2-yl]thiophene
CID 46850752
2-[(E)-2-(4-fluorophenyl)ethenyl]-5-(5-iodothiophen-2-yl)thiophene
CID 46850753
2-iodo-5-[5-[(E)-2-(4-iodophenyl)ethenyl]thiophen-2-yl]thiophene
CID 53330304
2-iodo-5-[5-[(E)-2-(4-methylphenyl)ethenyl]thiophen-2-yl]thiophene
CID 53330305
2-bromo-5-[5-[(E)-2-(4-chlorophenyl)ethenyl]thiophen-2-yl]thiophene
CID 46850584
2,5-Bis(4-chlorophenyl)thiophene
CID 3588046
2-[(E)-2-(4-iodophenyl)ethenyl]-5-thiophen-2-ylthiophene
CID 53330475
3-(4-Chlorophenyl)-1lambda(4),2-dithiol-5-yl methyl sulfide
CID 494170
Triarathene
CID 6450825
9VK73H52TF
CID 24195771

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-chlorophenyl)ethenyl]-5-(5-iodothiophen-2-yl)thiophene?
The IUPAC name of 2-[(E)-2-(4-chlorophenyl)ethenyl]-5-(5-iodothiophen-2-yl)thiophene (CID 53330302) is 2-[(E)-2-(4-chlorophenyl)ethenyl]-5-(5-iodothiophen-2-yl)thiophene.
What is the SMILES notation for 2-[(E)-2-(4-chlorophenyl)ethenyl]-5-(5-iodothiophen-2-yl)thiophene?
The canonical SMILES for 2-[(E)-2-(4-chlorophenyl)ethenyl]-5-(5-iodothiophen-2-yl)thiophene is Clc1ccc(/C=C/c2ccc(-c3ccc(I)s3)s2)cc1.
What is the InChIKey of 2-[(E)-2-(4-chlorophenyl)ethenyl]-5-(5-iodothiophen-2-yl)thiophene?
The InChIKey is UJNVLAGYWUNWES-ZZXKWVIFSA-N. The full InChI is InChI=1S/C16H10ClIS2/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-chlorophenyl)ethenyl]-5-(5-iodothiophen-2-yl)thiophene?
2-[(E)-2-(4-chlorophenyl)ethenyl]-5-(5-iodothiophen-2-yl)thiophene has a molecular weight of 428.75 g/mol, XLogP of 6.91, 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-chlorophenyl)ethenyl]-5-(5-iodothiophen-2-yl)thiophene is sourced from PubChem (CID 53330302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).