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

C32H36S5 — CID 102394967

IUPAC2,3-bis(5-hexylthiophen-2-yl)-5-(2-thiophen-2-ylthiophen-3-yl)thiophene
SMILESCCCCCCc1ccc(-c2cc(-c3ccsc3-c3cccs3)sc2-c2ccc(CCCCCC)s2)s1
InChIInChI=1S/C32H36S5/c1-3-5-7-9-12-23-15-17-27(35-23)26-22-30(25-19-21-34-31(25)28-14-11-20-33-28)37-32(26)29-18-16-24(36-29)13-10-8-6-4-2/h11,14-22H,3-10,12-13H2,1-2H3
InChIKeyVOQRAZCKUCYPGM-UHFFFAOYSA-N
MW580.98 g/mol
LogP12.91
Rot. Bonds14

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

2,3-bis(5-hexylthiophen-2-yl)-5-(2-thiophen-2-ylthiophen-3-yl)thiophene (PubChem CID 102394967) has the molecular formula C32H36S5 and a molecular weight of 580.98 g/mol. Its IUPAC name is 2,3-bis(5-hexylthiophen-2-yl)-5-(2-thiophen-2-ylthiophen-3-yl)thiophene.

Molecular Properties

Compound Name2,3-bis(5-hexylthiophen-2-yl)-5-(2-thiophen-2-ylthiophen-3-yl)thiophene
PubChem CID102394967
Molecular FormulaC32H36S5
Molecular Weight580.98 g/mol
Exact Mass580.14
IUPAC Name2,3-bis(5-hexylthiophen-2-yl)-5-(2-thiophen-2-ylthiophen-3-yl)thiophene
SMILESCCCCCCc1ccc(-c2cc(-c3ccsc3-c3cccs3)sc2-c2ccc(CCCCCC)s2)s1
InChIInChI=1S/C32H36S5/c1-3-5-7-9-12-23-15-17-27(35-23)26-22-30(25-19-21-34-31(25)28-14-11-20-33-28)37-32(26)29-18-16-24(36-29)13-10-8-6-4-2/h11,14-22H,3-10,12-13H2,1-2H3
InChIKeyVOQRAZCKUCYPGM-UHFFFAOYSA-N
XLogP12.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.98
LogP ≤ 512.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[5-[3,5-bis[5-[4,5-bis(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]thiophen-2-yl]-2,3-bis(5-hexylthiophen-2-yl)thiophene
CID 101383474
2-(2-hexyldecyl)-5-(2-thiophen-2-ylthiophen-3-yl)thiophene
CID 132553170
3-(3-chloro-5-ethylphenyl)-2-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophene
CID 68915856
2-bromo-3-(5-dodecylthiophen-2-yl)thiophene
CID 69300952
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
3-(5-dodecylthiophen-2-yl)-2-[5-[5-[3-(5-dodecylthiophen-2-yl)-5-methylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-methylthiophene
CID 58825513
2,3-bis[5-(6-methoxyhexyl)thiophen-2-yl]thiophene
CID 86057568
3-decyl-5-(4-decyl-5-thiophen-2-ylthiophen-2-yl)-2-thiophen-2-ylthiophene
CID 15363325
2-[5-[5-(3,4-dioctyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-3,4-dioctyl-5-thiophen-2-ylthiophene
CID 59188449
2-dodecyl-5-[5-[5-[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 24746397
2-[2,5-bis(5-octylthiophen-2-yl)thiophen-3-yl]ethanol
CID 640124
4-[5-[3-[5-[4,5-bis[5-[4,5-bis[5-(4,5-dithiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2,3-bis[5-[4,5-bis[5-(4,5-dithiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 102469985

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(5-hexylthiophen-2-yl)-5-(2-thiophen-2-ylthiophen-3-yl)thiophene?
The IUPAC name of 2,3-bis(5-hexylthiophen-2-yl)-5-(2-thiophen-2-ylthiophen-3-yl)thiophene (CID 102394967) is 2,3-bis(5-hexylthiophen-2-yl)-5-(2-thiophen-2-ylthiophen-3-yl)thiophene.
What is the SMILES notation for 2,3-bis(5-hexylthiophen-2-yl)-5-(2-thiophen-2-ylthiophen-3-yl)thiophene?
The canonical SMILES for 2,3-bis(5-hexylthiophen-2-yl)-5-(2-thiophen-2-ylthiophen-3-yl)thiophene is CCCCCCc1ccc(-c2cc(-c3ccsc3-c3cccs3)sc2-c2ccc(CCCCCC)s2)s1.
What is the InChIKey of 2,3-bis(5-hexylthiophen-2-yl)-5-(2-thiophen-2-ylthiophen-3-yl)thiophene?
The InChIKey is VOQRAZCKUCYPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36S5/c1-3-5-7-9-12-23-15-17-27(35-23)26-22-30(25-19-21-34-31(25)28-14-11-20-33-28)37-32(26)29-18-16-24(36-29)13-10-8-6-4-2/h11,14-22H,3-10,12-13H2,1-2H3.
What are the key properties of 2,3-bis(5-hexylthiophen-2-yl)-5-(2-thiophen-2-ylthiophen-3-yl)thiophene?
2,3-bis(5-hexylthiophen-2-yl)-5-(2-thiophen-2-ylthiophen-3-yl)thiophene has a molecular weight of 580.98 g/mol, XLogP of 12.91, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(5-hexylthiophen-2-yl)-5-(2-thiophen-2-ylthiophen-3-yl)thiophene is sourced from PubChem (CID 102394967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).