3-decyl-5-(4-decyl-5-thiophen-2-ylthiophen-2-yl)-2-thiophen-2-ylthiophene

C36H50S4 — CID 15363325

IUPAC3-decyl-5-(4-decyl-5-thiophen-2-ylthiophen-2-yl)-2-thiophen-2-ylthiophene
SMILESCCCCCCCCCCc1cc(-c2cc(CCCCCCCCCC)c(-c3cccs3)s2)sc1-c1cccs1
InChIInChI=1S/C36H50S4/c1-3-5-7-9-11-13-15-17-21-29-27-33(39-35(29)31-23-19-25-37-31)34-28-30(36(40-34)32-24-20-26-38-32)22-18-16-14-12-10-8-6-4-2/h19-20,23-28H,3-18,21-22H2,1-2H3
InChIKeySUDJEROUQXZGIO-UHFFFAOYSA-N
MW611.06 g/mol
LogP14.30
Rot. Bonds21

About 3-decyl-5-(4-decyl-5-thiophen-2-ylthiophen-2-yl)-2-thiophen-2-ylthiophene

3-decyl-5-(4-decyl-5-thiophen-2-ylthiophen-2-yl)-2-thiophen-2-ylthiophene (PubChem CID 15363325) has the molecular formula C36H50S4 and a molecular weight of 611.06 g/mol. Its IUPAC name is 3-decyl-5-(4-decyl-5-thiophen-2-ylthiophen-2-yl)-2-thiophen-2-ylthiophene.

Molecular Properties

Compound Name3-decyl-5-(4-decyl-5-thiophen-2-ylthiophen-2-yl)-2-thiophen-2-ylthiophene
PubChem CID15363325
Molecular FormulaC36H50S4
Molecular Weight611.06 g/mol
Exact Mass610.28
IUPAC Name3-decyl-5-(4-decyl-5-thiophen-2-ylthiophen-2-yl)-2-thiophen-2-ylthiophene
SMILESCCCCCCCCCCc1cc(-c2cc(CCCCCCCCCC)c(-c3cccs3)s2)sc1-c1cccs1
InChIInChI=1S/C36H50S4/c1-3-5-7-9-11-13-15-17-21-29-27-33(39-35(29)31-23-19-25-37-31)34-28-30(36(40-34)32-24-20-26-38-32)22-18-16-14-12-10-8-6-4-2/h19-20,23-28H,3-18,21-22H2,1-2H3
InChIKeySUDJEROUQXZGIO-UHFFFAOYSA-N
XLogP14.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.06
LogP ≤ 514.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-decyl-5-(4-decyl-5-thiophen-2-ylthiophen-2-yl)-2-thiophen-2-ylthiophene 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

3-hexyl-5-phenyl-2-thiophen-2-ylthiophene
CID 132551010
[5-[3-butyl-5-[4-butyl-5-[5-(4-butyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-trimethylsilane
CID 10700156
3-octadecyl-5-[3-octadecyl-5-[5-[4-octadecyl-5-[4-octadecyl-5-[5-[5-[3-octadecyl-5-(3-octadecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2-[5-[5-[3-octadecyl-5-(3-octadecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 100961610
3-octyl-2,5-bis(3-octylthiophen-2-yl)thiophene
CID 101041638
5-[3,5-bis[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-2-[5-[5-[5-[3,5-bis[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3-hexylthiophene
CID 58159360
5-chloro-7-hexyl-4-(4-hexyl-5-thiophen-2-ylthiophen-2-yl)-1,2,3-benzothiadiazole
CID 118900449
5-[3,5-bis[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-2-[5-[5-[5-[3,5-bis[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3-hexylthiophene;hydrofluoride
CID 157282675
4-nonyl-2-(4-nonyl-5-thiophen-2-yl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1,3-thiazole
CID 101449342
1-(3-hexylthiophen-2-yl)-3-thiophen-2-yl-2-benzothiophene
CID 10667631
benzyl 2-[2,5-bis[4-octyl-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-3-yl]acetate
CID 101055827
2-[5-[5-(3,4-dioctyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-3,4-dioctyl-5-thiophen-2-ylthiophene
CID 59188449
3-hexyl-2-[5-[5-[3-hexyl-5-[4-hexyl-5-[5-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-methylthiophene
CID 101128225

Frequently Asked Questions

What is the IUPAC name of 3-decyl-5-(4-decyl-5-thiophen-2-ylthiophen-2-yl)-2-thiophen-2-ylthiophene?
The IUPAC name of 3-decyl-5-(4-decyl-5-thiophen-2-ylthiophen-2-yl)-2-thiophen-2-ylthiophene (CID 15363325) is 3-decyl-5-(4-decyl-5-thiophen-2-ylthiophen-2-yl)-2-thiophen-2-ylthiophene.
What is the SMILES notation for 3-decyl-5-(4-decyl-5-thiophen-2-ylthiophen-2-yl)-2-thiophen-2-ylthiophene?
The canonical SMILES for 3-decyl-5-(4-decyl-5-thiophen-2-ylthiophen-2-yl)-2-thiophen-2-ylthiophene is CCCCCCCCCCc1cc(-c2cc(CCCCCCCCCC)c(-c3cccs3)s2)sc1-c1cccs1.
What is the InChIKey of 3-decyl-5-(4-decyl-5-thiophen-2-ylthiophen-2-yl)-2-thiophen-2-ylthiophene?
The InChIKey is SUDJEROUQXZGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H50S4/c1-3-5-7-9-11-13-15-17-21-29-27-33(39-35(29)31-23-19-25-37-31)34-28-30(36(40-34)32-24-20-26-38-32)22-18-16-14-12-10-8-6-4-2/h19-20,23-28H,3-18,21-22H2,1-2H3.
What are the key properties of 3-decyl-5-(4-decyl-5-thiophen-2-ylthiophen-2-yl)-2-thiophen-2-ylthiophene?
3-decyl-5-(4-decyl-5-thiophen-2-ylthiophen-2-yl)-2-thiophen-2-ylthiophene has a molecular weight of 611.06 g/mol, XLogP of 14.30, 21 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-decyl-5-(4-decyl-5-thiophen-2-ylthiophen-2-yl)-2-thiophen-2-ylthiophene is sourced from PubChem (CID 15363325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).