3-hexyl-2-[2-(3-hexylthiophen-2-yl)phenyl]thiophene

C26H34S2 — CID 141412615

IUPAC3-hexyl-2-[2-(3-hexylthiophen-2-yl)phenyl]thiophene
SMILESCCCCCCc1ccsc1-c1ccccc1-c1sccc1CCCCCC
InChIInChI=1S/C26H34S2/c1-3-5-7-9-13-21-17-19-27-25(21)23-15-11-12-16-24(23)26-22(18-20-28-26)14-10-8-6-4-2/h11-12,15-20H,3-10,13-14H2,1-2H3
InChIKeyHXNXIIXLXMXCID-UHFFFAOYSA-N
MW410.69 g/mol
LogP9.39
Rot. Bonds12

About 3-hexyl-2-[2-(3-hexylthiophen-2-yl)phenyl]thiophene

3-hexyl-2-[2-(3-hexylthiophen-2-yl)phenyl]thiophene (PubChem CID 141412615) has the molecular formula C26H34S2 and a molecular weight of 410.69 g/mol. Its IUPAC name is 3-hexyl-2-[2-(3-hexylthiophen-2-yl)phenyl]thiophene.

Molecular Properties

Compound Name3-hexyl-2-[2-(3-hexylthiophen-2-yl)phenyl]thiophene
PubChem CID141412615
Molecular FormulaC26H34S2
Molecular Weight410.69 g/mol
Exact Mass410.21
IUPAC Name3-hexyl-2-[2-(3-hexylthiophen-2-yl)phenyl]thiophene
SMILESCCCCCCc1ccsc1-c1ccccc1-c1sccc1CCCCCC
InChIInChI=1S/C26H34S2/c1-3-5-7-9-13-21-17-19-27-25(21)23-15-11-12-16-24(23)26-22(18-20-28-26)14-10-8-6-4-2/h11-12,15-20H,3-10,13-14H2,1-2H3
InChIKeyHXNXIIXLXMXCID-UHFFFAOYSA-N
XLogP9.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.69
LogP ≤ 59.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-pentyl-2-(3-pentylthiophen-2-yl)thiophene
CID 86066815
3-hexadecyl-2-phenylthiophene
CID 101022658
2,5-bis(3-hexylthiophen-2-yl)thiophene
CID 14916420
2,3-dioctyl-5,8-bis(3-octylthiophen-2-yl)quinoxaline
CID 141269539
2-(3-hexylthiophen-2-yl)-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene
CID 71381559
3,4-dimethyl-2,5-bis(3-octylthiophen-2-yl)thiophene
CID 91212420
3-dodecyl-2-naphthalen-2-ylthiophene
CID 173129143
2-[3,7-ditert-butyl-5-(3-hexylthiophen-2-yl)naphthalen-1-yl]-3-hexylthiophene
CID 101341732
2-(4-bromophenyl)-3-hexylthiophene
CID 102310139
1-(3-hexylthiophen-2-yl)-3-thiophen-2-yl-2-benzothiophene
CID 10667631
3-octyl-2,5-bis(3-octylthiophen-2-yl)thiophene
CID 101041638
3-pentyl-2-thiophen-2-ylthiophene;phenazine
CID 175409994

Frequently Asked Questions

What is the IUPAC name of 3-hexyl-2-[2-(3-hexylthiophen-2-yl)phenyl]thiophene?
The IUPAC name of 3-hexyl-2-[2-(3-hexylthiophen-2-yl)phenyl]thiophene (CID 141412615) is 3-hexyl-2-[2-(3-hexylthiophen-2-yl)phenyl]thiophene.
What is the SMILES notation for 3-hexyl-2-[2-(3-hexylthiophen-2-yl)phenyl]thiophene?
The canonical SMILES for 3-hexyl-2-[2-(3-hexylthiophen-2-yl)phenyl]thiophene is CCCCCCc1ccsc1-c1ccccc1-c1sccc1CCCCCC.
What is the InChIKey of 3-hexyl-2-[2-(3-hexylthiophen-2-yl)phenyl]thiophene?
The InChIKey is HXNXIIXLXMXCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34S2/c1-3-5-7-9-13-21-17-19-27-25(21)23-15-11-12-16-24(23)26-22(18-20-28-26)14-10-8-6-4-2/h11-12,15-20H,3-10,13-14H2,1-2H3.
What are the key properties of 3-hexyl-2-[2-(3-hexylthiophen-2-yl)phenyl]thiophene?
3-hexyl-2-[2-(3-hexylthiophen-2-yl)phenyl]thiophene has a molecular weight of 410.69 g/mol, XLogP of 9.39, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexyl-2-[2-(3-hexylthiophen-2-yl)phenyl]thiophene is sourced from PubChem (CID 141412615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).