2-(2-hexyldecyl)-5-(2-thiophen-2-ylthiophen-3-yl)thiophene

C28H40S3 — CID 132553170

IUPAC2-(2-hexyldecyl)-5-(2-thiophen-2-ylthiophen-3-yl)thiophene
SMILESCCCCCCCCC(CCCCCC)Cc1ccc(-c2ccsc2-c2cccs2)s1
InChIInChI=1S/C28H40S3/c1-3-5-7-9-10-12-15-23(14-11-8-6-4-2)22-24-17-18-26(31-24)25-19-21-30-28(25)27-16-13-20-29-27/h13,16-21,23H,3-12,14-15,22H2,1-2H3
InChIKeyOXDDYQXDCUXGMK-UHFFFAOYSA-N
MW472.83 g/mol
LogP11.08
Rot. Bonds16

About 2-(2-hexyldecyl)-5-(2-thiophen-2-ylthiophen-3-yl)thiophene

2-(2-hexyldecyl)-5-(2-thiophen-2-ylthiophen-3-yl)thiophene (PubChem CID 132553170) has the molecular formula C28H40S3 and a molecular weight of 472.83 g/mol. Its IUPAC name is 2-(2-hexyldecyl)-5-(2-thiophen-2-ylthiophen-3-yl)thiophene.

Molecular Properties

Compound Name2-(2-hexyldecyl)-5-(2-thiophen-2-ylthiophen-3-yl)thiophene
PubChem CID132553170
Molecular FormulaC28H40S3
Molecular Weight472.83 g/mol
Exact Mass472.23
IUPAC Name2-(2-hexyldecyl)-5-(2-thiophen-2-ylthiophen-3-yl)thiophene
SMILESCCCCCCCCC(CCCCCC)Cc1ccc(-c2ccsc2-c2cccs2)s1
InChIInChI=1S/C28H40S3/c1-3-5-7-9-10-12-15-23(14-11-8-6-4-2)22-24-17-18-26(31-24)25-19-21-30-28(25)27-16-13-20-29-27/h13,16-21,23H,3-12,14-15,22H2,1-2H3
InChIKeyOXDDYQXDCUXGMK-UHFFFAOYSA-N
XLogP11.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.83
LogP ≤ 511.08
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-bis(5-hexylthiophen-2-yl)-5-(2-thiophen-2-ylthiophen-3-yl)thiophene
CID 102394967
2-icosyl-5-[5-(2-octyldodecyl)thiophen-2-yl]thiophene
CID 24746555
2-(2-butyloctyl)thiophene
CID 66609412
4,8-bis[5-(2-butyloctyl)thiophen-2-yl]thieno[2,3-f][1]benzothiole
CID 127255921
2-bromo-5-[5-[5-[5-(2-octyldodecyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 24746553
4-[5-(2-hexyldecyl)thiophen-2-yl]-5-[5-(2-methyldecyl)thiophen-2-yl]thieno[3,2-g][1]benzothiole
CID 58098925
5-(2-hexyldecyl)-1,3-dithiophen-2-ylthieno[3,4-c]pyrrole-4,6-dione
CID 142734903
bis[5-[5-[bis[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-methylsilyl]thiophen-2-yl]thiophen-2-yl]-methyl-(5-thiophen-2-ylthiophen-2-yl)silane
CID 102519870
5,12-bis(5-octylpentadecyl)-4,11-dithiophen-2-yl-3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene;methane
CID 159864957
2,3-dithiophen-2-ylthiophene;2,5-dithiophen-2-ylthiophene
CID 161253410
3-decyl-5-(4-decyl-5-thiophen-2-ylthiophen-2-yl)-2-thiophen-2-ylthiophene
CID 15363325
2-bromo-3-(5-dodecylthiophen-2-yl)thiophene
CID 69300952

Frequently Asked Questions

What is the IUPAC name of 2-(2-hexyldecyl)-5-(2-thiophen-2-ylthiophen-3-yl)thiophene?
The IUPAC name of 2-(2-hexyldecyl)-5-(2-thiophen-2-ylthiophen-3-yl)thiophene (CID 132553170) is 2-(2-hexyldecyl)-5-(2-thiophen-2-ylthiophen-3-yl)thiophene.
What is the SMILES notation for 2-(2-hexyldecyl)-5-(2-thiophen-2-ylthiophen-3-yl)thiophene?
The canonical SMILES for 2-(2-hexyldecyl)-5-(2-thiophen-2-ylthiophen-3-yl)thiophene is CCCCCCCCC(CCCCCC)Cc1ccc(-c2ccsc2-c2cccs2)s1.
What is the InChIKey of 2-(2-hexyldecyl)-5-(2-thiophen-2-ylthiophen-3-yl)thiophene?
The InChIKey is OXDDYQXDCUXGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40S3/c1-3-5-7-9-10-12-15-23(14-11-8-6-4-2)22-24-17-18-26(31-24)25-19-21-30-28(25)27-16-13-20-29-27/h13,16-21,23H,3-12,14-15,22H2,1-2H3.
What are the key properties of 2-(2-hexyldecyl)-5-(2-thiophen-2-ylthiophen-3-yl)thiophene?
2-(2-hexyldecyl)-5-(2-thiophen-2-ylthiophen-3-yl)thiophene has a molecular weight of 472.83 g/mol, XLogP of 11.08, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hexyldecyl)-5-(2-thiophen-2-ylthiophen-3-yl)thiophene is sourced from PubChem (CID 132553170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).