2,3-bis(5-chloro-4-hexylthiophen-2-yl)-5-(3-hexylthiophen-2-yl)thiophene

C34H44Cl2S4 — CID 132551013

IUPAC2,3-bis(5-chloro-4-hexylthiophen-2-yl)-5-(3-hexylthiophen-2-yl)thiophene
SMILESCCCCCCc1cc(-c2cc(-c3sccc3CCCCCC)sc2-c2cc(CCCCCC)c(Cl)s2)sc1Cl
InChIInChI=1S/C34H44Cl2S4/c1-4-7-10-13-16-24-19-20-37-31(24)30-23-27(28-21-25(33(35)39-28)17-14-11-8-5-2)32(38-30)29-22-26(34(36)40-29)18-15-12-9-6-3/h19-23H,4-18H2,1-3H3
InChIKeyODIQNUFZJJIYFE-UHFFFAOYSA-N
MW651.90 g/mol
LogP14.61
Rot. Bonds18

About 2,3-bis(5-chloro-4-hexylthiophen-2-yl)-5-(3-hexylthiophen-2-yl)thiophene

2,3-bis(5-chloro-4-hexylthiophen-2-yl)-5-(3-hexylthiophen-2-yl)thiophene (PubChem CID 132551013) has the molecular formula C34H44Cl2S4 and a molecular weight of 651.90 g/mol. Its IUPAC name is 2,3-bis(5-chloro-4-hexylthiophen-2-yl)-5-(3-hexylthiophen-2-yl)thiophene.

Molecular Properties

Compound Name2,3-bis(5-chloro-4-hexylthiophen-2-yl)-5-(3-hexylthiophen-2-yl)thiophene
PubChem CID132551013
Molecular FormulaC34H44Cl2S4
Molecular Weight651.90 g/mol
Exact Mass650.17
IUPAC Name2,3-bis(5-chloro-4-hexylthiophen-2-yl)-5-(3-hexylthiophen-2-yl)thiophene
SMILESCCCCCCc1cc(-c2cc(-c3sccc3CCCCCC)sc2-c2cc(CCCCCC)c(Cl)s2)sc1Cl
InChIInChI=1S/C34H44Cl2S4/c1-4-7-10-13-16-24-19-20-37-31(24)30-23-27(28-21-25(33(35)39-28)17-14-11-8-5-2)32(38-30)29-22-26(34(36)40-29)18-15-12-9-6-3/h19-23H,4-18H2,1-3H3
InChIKeyODIQNUFZJJIYFE-UHFFFAOYSA-N
XLogP14.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.90
LogP ≤ 514.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,3-bis(5-chloro-4-hexylthiophen-2-yl)-5-(3-hexylthiophen-2-yl)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

3-octyl-2,5-bis(3-octylthiophen-2-yl)thiophene
CID 101041638
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
2,5-bis(3-hexylthiophen-2-yl)thiophene
CID 14916420
2-(3-hexylthiophen-2-yl)-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene
CID 71381559
3-hexyl-2-[4-hexyl-5-(4-hexylthiophen-2-yl)thiophen-2-yl]-5-(3-hexylthiophen-2-yl)thiophene
CID 10818171
3-octyl-2-[4-octyl-5-[4-octyl-5-[4-octyl-5-[4-octyl-5-[4-octyl-5-(4-octylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-(3-octylthiophen-2-yl)thiophene
CID 102479833
3-dodecyl-2-[4-dodecyl-5-[4-dodecyl-5-[4-dodecyl-5-[4-dodecyl-5-[4-dodecyl-5-[4-dodecyl-5-[4-dodecyl-5-(4-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-(3-dodecylthiophen-2-yl)thiophene
CID 135005734
4-[3-hexyl-5-[3-hexyl-5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]aniline
CID 142697064
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
3-pentyl-2-(3-pentylthiophen-2-yl)thiophene
CID 86066815
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
[3-hexyl-5-[3-hexyl-5-[3-hexyl-5-[3-hexyl-5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phosphonic acid
CID 59428860

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(5-chloro-4-hexylthiophen-2-yl)-5-(3-hexylthiophen-2-yl)thiophene?
The IUPAC name of 2,3-bis(5-chloro-4-hexylthiophen-2-yl)-5-(3-hexylthiophen-2-yl)thiophene (CID 132551013) is 2,3-bis(5-chloro-4-hexylthiophen-2-yl)-5-(3-hexylthiophen-2-yl)thiophene.
What is the SMILES notation for 2,3-bis(5-chloro-4-hexylthiophen-2-yl)-5-(3-hexylthiophen-2-yl)thiophene?
The canonical SMILES for 2,3-bis(5-chloro-4-hexylthiophen-2-yl)-5-(3-hexylthiophen-2-yl)thiophene is CCCCCCc1cc(-c2cc(-c3sccc3CCCCCC)sc2-c2cc(CCCCCC)c(Cl)s2)sc1Cl.
What is the InChIKey of 2,3-bis(5-chloro-4-hexylthiophen-2-yl)-5-(3-hexylthiophen-2-yl)thiophene?
The InChIKey is ODIQNUFZJJIYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H44Cl2S4/c1-4-7-10-13-16-24-19-20-37-31(24)30-23-27(28-21-25(33(35)39-28)17-14-11-8-5-2)32(38-30)29-22-26(34(36)40-29)18-15-12-9-6-3/h19-23H,4-18H2,1-3H3.
What are the key properties of 2,3-bis(5-chloro-4-hexylthiophen-2-yl)-5-(3-hexylthiophen-2-yl)thiophene?
2,3-bis(5-chloro-4-hexylthiophen-2-yl)-5-(3-hexylthiophen-2-yl)thiophene has a molecular weight of 651.90 g/mol, XLogP of 14.61, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(5-chloro-4-hexylthiophen-2-yl)-5-(3-hexylthiophen-2-yl)thiophene is sourced from PubChem (CID 132551013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).