2-iodo-3-phenyl-5-(3-phenylthiophen-2-yl)thiophene

C20H13IS2 — CID 139840485

IUPAC2-iodo-3-phenyl-5-(3-phenylthiophen-2-yl)thiophene
SMILESIc1sc(-c2sccc2-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C20H13IS2/c21-20-17(15-9-5-2-6-10-15)13-18(23-20)19-16(11-12-22-19)14-7-3-1-4-8-14/h1-13H
InChIKeyCNTSJXGCHXCJNE-UHFFFAOYSA-N
MW444.36 g/mol
LogP7.42
Rot. Bonds3

About 2-iodo-3-phenyl-5-(3-phenylthiophen-2-yl)thiophene

2-iodo-3-phenyl-5-(3-phenylthiophen-2-yl)thiophene (PubChem CID 139840485) has the molecular formula C20H13IS2 and a molecular weight of 444.36 g/mol. Its IUPAC name is 2-iodo-3-phenyl-5-(3-phenylthiophen-2-yl)thiophene.

Molecular Properties

Compound Name2-iodo-3-phenyl-5-(3-phenylthiophen-2-yl)thiophene
PubChem CID139840485
Molecular FormulaC20H13IS2
Molecular Weight444.36 g/mol
Exact Mass443.95
IUPAC Name2-iodo-3-phenyl-5-(3-phenylthiophen-2-yl)thiophene
SMILESIc1sc(-c2sccc2-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C20H13IS2/c21-20-17(15-9-5-2-6-10-15)13-18(23-20)19-16(11-12-22-19)14-7-3-1-4-8-14/h1-13H
InChIKeyCNTSJXGCHXCJNE-UHFFFAOYSA-N
XLogP7.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.36
LogP ≤ 57.42
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

3-phenyl-2,5-bis(3-phenylthiophen-2-yl)thiophene
CID 101018673
3-phenyl-5-(3-phenylthiophen-2-yl)-2-(4-phenylthiophen-2-yl)thiophene
CID 10695949
3-phenyl-2-[4-(3-phenylthiophen-2-yl)phenyl]thiophene
CID 67533042
3-phenyl-2-(4-phenylphenyl)thiophene
CID 70178548
3-[3,5-bis(2-phenylthiophen-3-yl)phenyl]-2-phenylthiophene
CID 58130450
3-(4-phenylphenyl)-2-(2-thiophen-2-ylthiophen-3-yl)thiophene
CID 175170754
2-bromo-3-dodecyl-5-(3-phenylthiophen-2-yl)thiophene
CID 11027364
4,6-dichloro-2-(3-phenylthiophen-2-yl)pyrimidine
CID 151513214
3-(4-chlorophenyl)-2-thiophen-2-ylthiophene
CID 172853479
3-methyl-2-(3-methylthiophen-2-yl)-5-[3-(3-methylthiophen-2-yl)thiophen-2-yl]thiophene
CID 132568835
6-phenylcyclopenta[b]thiopyran
CID 175596578
6-methyl-5-phenylcyclopenta[b]thiophen-4-one
CID 15618706

Frequently Asked Questions

What is the IUPAC name of 2-iodo-3-phenyl-5-(3-phenylthiophen-2-yl)thiophene?
The IUPAC name of 2-iodo-3-phenyl-5-(3-phenylthiophen-2-yl)thiophene (CID 139840485) is 2-iodo-3-phenyl-5-(3-phenylthiophen-2-yl)thiophene.
What is the SMILES notation for 2-iodo-3-phenyl-5-(3-phenylthiophen-2-yl)thiophene?
The canonical SMILES for 2-iodo-3-phenyl-5-(3-phenylthiophen-2-yl)thiophene is Ic1sc(-c2sccc2-c2ccccc2)cc1-c1ccccc1.
What is the InChIKey of 2-iodo-3-phenyl-5-(3-phenylthiophen-2-yl)thiophene?
The InChIKey is CNTSJXGCHXCJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13IS2/c21-20-17(15-9-5-2-6-10-15)13-18(23-20)19-16(11-12-22-19)14-7-3-1-4-8-14/h1-13H.
What are the key properties of 2-iodo-3-phenyl-5-(3-phenylthiophen-2-yl)thiophene?
2-iodo-3-phenyl-5-(3-phenylthiophen-2-yl)thiophene has a molecular weight of 444.36 g/mol, XLogP of 7.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-3-phenyl-5-(3-phenylthiophen-2-yl)thiophene is sourced from PubChem (CID 139840485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).