3-(2,5-dioctylphenyl)thiophene

C26H40S — CID 91605577

IUPAC3-(2,5-dioctylphenyl)thiophene
SMILESCCCCCCCCc1ccc(CCCCCCCC)c(-c2ccsc2)c1
InChIInChI=1S/C26H40S/c1-3-5-7-9-11-13-15-23-17-18-24(16-14-12-10-8-6-4-2)26(21-23)25-19-20-27-22-25/h17-22H,3-16H2,1-2H3
InChIKeyGJYVVQNRADQFSI-UHFFFAOYSA-N
MW384.67 g/mol
LogP9.22
Rot. Bonds15

About 3-(2,5-dioctylphenyl)thiophene

3-(2,5-dioctylphenyl)thiophene (PubChem CID 91605577) has the molecular formula C26H40S and a molecular weight of 384.67 g/mol. Its IUPAC name is 3-(2,5-dioctylphenyl)thiophene.

Molecular Properties

Compound Name3-(2,5-dioctylphenyl)thiophene
PubChem CID91605577
Molecular FormulaC26H40S
Molecular Weight384.67 g/mol
Exact Mass384.29
IUPAC Name3-(2,5-dioctylphenyl)thiophene
SMILESCCCCCCCCc1ccc(CCCCCCCC)c(-c2ccsc2)c1
InChIInChI=1S/C26H40S/c1-3-5-7-9-11-13-15-23-17-18-24(16-14-12-10-8-6-4-2)26(21-23)25-19-20-27-22-25/h17-22H,3-16H2,1-2H3
InChIKeyGJYVVQNRADQFSI-UHFFFAOYSA-N
XLogP9.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.67
LogP ≤ 59.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(2,5-dioctylphenyl)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-(2-hexylphenyl)thiophene
CID 174751094
1,4-didecyl-2-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 141240736
7-butylcyclopenta[c]thiopyran
CID 173058565
3-heptylthiophene;3-hexylthiophene
CID 159152668
2-butyl-5-pentadecylphenol
CID 175271686
1-[4-(2,5-dihexylphenyl)phenyl]-N-phenylmethanimine
CID 101410625
4-(3,4-dihexylphenyl)butan-1-ol
CID 169030175
3-heptylthiophene;oxaldehyde
CID 175169306
CID 23070262
CID 23070262
1,2-dimethyl-4-octylbenzene
CID 14044616
4-nonyl-2-pentylphenol
CID 86162849
1,2-bis(bromomethyl)-4-decylbenzene
CID 139761482

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioctylphenyl)thiophene?
The IUPAC name of 3-(2,5-dioctylphenyl)thiophene (CID 91605577) is 3-(2,5-dioctylphenyl)thiophene.
What is the SMILES notation for 3-(2,5-dioctylphenyl)thiophene?
The canonical SMILES for 3-(2,5-dioctylphenyl)thiophene is CCCCCCCCc1ccc(CCCCCCCC)c(-c2ccsc2)c1.
What is the InChIKey of 3-(2,5-dioctylphenyl)thiophene?
The InChIKey is GJYVVQNRADQFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40S/c1-3-5-7-9-11-13-15-23-17-18-24(16-14-12-10-8-6-4-2)26(21-23)25-19-20-27-22-25/h17-22H,3-16H2,1-2H3.
What are the key properties of 3-(2,5-dioctylphenyl)thiophene?
3-(2,5-dioctylphenyl)thiophene has a molecular weight of 384.67 g/mol, XLogP of 9.22, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioctylphenyl)thiophene is sourced from PubChem (CID 91605577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).