3,6-bis(thieno[3,2-b]thiophen-6-yl)thieno[3,2-b]thiophene

C18H8S6 — CID 91398517

IUPAC3,6-bis(thieno[3,2-b]thiophen-6-yl)thieno[3,2-b]thiophene
SMILESc1cc2scc(-c3csc4c(-c5csc6ccsc56)csc34)c2s1
InChIInChI=1S/C18H8S6/c1-3-19-15-9(5-21-13(1)15)11-7-23-18-12(8-24-17(11)18)10-6-22-14-2-4-20-16(10)14/h1-8H
InChIKeyAIVFWUWYIMHPIE-UHFFFAOYSA-N
MW416.66 g/mol
LogP8.85
Rot. Bonds2

About 3,6-bis(thieno[3,2-b]thiophen-6-yl)thieno[3,2-b]thiophene

3,6-bis(thieno[3,2-b]thiophen-6-yl)thieno[3,2-b]thiophene (PubChem CID 91398517) has the molecular formula C18H8S6 and a molecular weight of 416.66 g/mol. Its IUPAC name is 3,6-bis(thieno[3,2-b]thiophen-6-yl)thieno[3,2-b]thiophene.

Molecular Properties

Compound Name3,6-bis(thieno[3,2-b]thiophen-6-yl)thieno[3,2-b]thiophene
PubChem CID91398517
Molecular FormulaC18H8S6
Molecular Weight416.66 g/mol
Exact Mass415.90
IUPAC Name3,6-bis(thieno[3,2-b]thiophen-6-yl)thieno[3,2-b]thiophene
SMILESc1cc2scc(-c3csc4c(-c5csc6ccsc56)csc34)c2s1
InChIInChI=1S/C18H8S6/c1-3-19-15-9(5-21-13(1)15)11-7-23-18-12(8-24-17(11)18)10-6-22-14-2-4-20-16(10)14/h1-8H
InChIKeyAIVFWUWYIMHPIE-UHFFFAOYSA-N
XLogP8.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.66
LogP ≤ 58.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3,6-bis(thieno[3,2-b]thiophen-6-yl)thieno[3,2-b]thiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2':5',2'':5'',2''':5''',2''''-Quinquethiophene
CID 395508
2,2':3',2''-Terthiophene
CID 395532
Sexithiophene
CID 11340899
3,2':5',3''-Terthiophene
CID 157751
3,3'''-Didodecyl-2,2':5',2'':5'',2'''-quaterthiophene
CID 389751
2,2':4',2''-Terthiophene
CID 395533
2,3':4',2''-Terthiophene
CID 395534
2,2':5',2''-Terthiophene, 3',4'-dibutyl-
CID 4120443
2,2'-Bithieno[3,2-b]thiophene
CID 11300423
3,3'''-Dihexyl-2,2':5',2'':5'',2'''-quaterthiophene
CID 12141630
2,3,5-Tris(2-thienyl)thiophene
CID 376724
Thiophene, 2-[(5-phenyl[2,2'-bithiophen]-4-yl)methyl]-
CID 377738

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(thieno[3,2-b]thiophen-6-yl)thieno[3,2-b]thiophene?
The IUPAC name of 3,6-bis(thieno[3,2-b]thiophen-6-yl)thieno[3,2-b]thiophene (CID 91398517) is 3,6-bis(thieno[3,2-b]thiophen-6-yl)thieno[3,2-b]thiophene.
What is the SMILES notation for 3,6-bis(thieno[3,2-b]thiophen-6-yl)thieno[3,2-b]thiophene?
The canonical SMILES for 3,6-bis(thieno[3,2-b]thiophen-6-yl)thieno[3,2-b]thiophene is c1cc2scc(-c3csc4c(-c5csc6ccsc56)csc34)c2s1.
What is the InChIKey of 3,6-bis(thieno[3,2-b]thiophen-6-yl)thieno[3,2-b]thiophene?
The InChIKey is AIVFWUWYIMHPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H8S6/c1-3-19-15-9(5-21-13(1)15)11-7-23-18-12(8-24-17(11)18)10-6-22-14-2-4-20-16(10)14/h1-8H.
What are the key properties of 3,6-bis(thieno[3,2-b]thiophen-6-yl)thieno[3,2-b]thiophene?
3,6-bis(thieno[3,2-b]thiophen-6-yl)thieno[3,2-b]thiophene has a molecular weight of 416.66 g/mol, XLogP of 8.85, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(thieno[3,2-b]thiophen-6-yl)thieno[3,2-b]thiophene is sourced from PubChem (CID 91398517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).