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

C24H32S3 — CID 14916420

IUPAC2,5-bis(3-hexylthiophen-2-yl)thiophene
SMILESCCCCCCc1ccsc1-c1ccc(-c2sccc2CCCCCC)s1
InChIInChI=1S/C24H32S3/c1-3-5-7-9-11-19-15-17-25-23(19)21-13-14-22(27-21)24-20(16-18-26-24)12-10-8-6-4-2/h13-18H,3-12H2,1-2H3
InChIKeyMSQDJEYNQBAYOK-UHFFFAOYSA-N
MW416.72 g/mol
LogP9.45
Rot. Bonds12

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

2,5-bis(3-hexylthiophen-2-yl)thiophene (PubChem CID 14916420) has the molecular formula C24H32S3 and a molecular weight of 416.72 g/mol. Its IUPAC name is 2,5-bis(3-hexylthiophen-2-yl)thiophene.

Molecular Properties

Compound Name2,5-bis(3-hexylthiophen-2-yl)thiophene
PubChem CID14916420
Molecular FormulaC24H32S3
Molecular Weight416.72 g/mol
Exact Mass416.17
IUPAC Name2,5-bis(3-hexylthiophen-2-yl)thiophene
SMILESCCCCCCc1ccsc1-c1ccc(-c2sccc2CCCCCC)s1
InChIInChI=1S/C24H32S3/c1-3-5-7-9-11-19-15-17-25-23(19)21-13-14-22(27-21)24-20(16-18-26-24)12-10-8-6-4-2/h13-18H,3-12H2,1-2H3
InChIKeyMSQDJEYNQBAYOK-UHFFFAOYSA-N
XLogP9.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.72
LogP ≤ 59.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-hexylthiophen-2-yl)-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene
CID 71381559
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-hexyl-5-[3-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]propyl]-2-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene
CID 11513597
3-dodecyl-2-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-iodothiophene
CID 86090497
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
[4-dodecyl-5-[5-[5-(3-dodecyl-5-trimethylstannylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-trimethylstannane;2-(3-dodecylthiophen-2-yl)-5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophene
CID 158616925
3-octyl-2,5-bis(3-octylthiophen-2-yl)thiophene
CID 101041638
3-hexyl-5-[2-[4-[2-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]ethynyl]phenyl]ethynyl]-2-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene
CID 59288557
3,4-dimethyl-2,5-bis(3-octylthiophen-2-yl)thiophene
CID 91212420
4-pentyl-5-[5-[5-[5-(3-pentylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene-2-carbaldehyde
CID 100938452

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(3-hexylthiophen-2-yl)thiophene?
The IUPAC name of 2,5-bis(3-hexylthiophen-2-yl)thiophene (CID 14916420) is 2,5-bis(3-hexylthiophen-2-yl)thiophene.
What is the SMILES notation for 2,5-bis(3-hexylthiophen-2-yl)thiophene?
The canonical SMILES for 2,5-bis(3-hexylthiophen-2-yl)thiophene is CCCCCCc1ccsc1-c1ccc(-c2sccc2CCCCCC)s1.
What is the InChIKey of 2,5-bis(3-hexylthiophen-2-yl)thiophene?
The InChIKey is MSQDJEYNQBAYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32S3/c1-3-5-7-9-11-19-15-17-25-23(19)21-13-14-22(27-21)24-20(16-18-26-24)12-10-8-6-4-2/h13-18H,3-12H2,1-2H3.
What are the key properties of 2,5-bis(3-hexylthiophen-2-yl)thiophene?
2,5-bis(3-hexylthiophen-2-yl)thiophene has a molecular weight of 416.72 g/mol, XLogP of 9.45, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(3-hexylthiophen-2-yl)thiophene is sourced from PubChem (CID 14916420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).