2,3-didecyl-4-thiophen-2-yl-5-(3,4,5-trithiophen-2-ylthiophen-2-yl)thiophene

C44H54S6 — CID 54105349

IUPAC2,3-didecyl-4-thiophen-2-yl-5-(3,4,5-trithiophen-2-ylthiophen-2-yl)thiophene
SMILESCCCCCCCCCCc1sc(-c2sc(-c3cccs3)c(-c3cccs3)c2-c2cccs2)c(-c2cccs2)c1CCCCCCCCCC
InChIInChI=1S/C44H54S6/c1-3-5-7-9-11-13-15-17-23-33-34(24-18-16-14-12-10-8-6-4-2)49-43(39(33)35-25-19-29-45-35)44-41(37-27-21-31-47-37)40(36-26-20-30-46-36)42(50-44)38-28-22-32-48-38/h19-22,25-32H,3-18,23-24H2,1-2H3
InChIKeyNDIXROPGFKLCRR-UHFFFAOYSA-N
MW775.32 g/mol
LogP17.76
Rot. Bonds23

About 2,3-didecyl-4-thiophen-2-yl-5-(3,4,5-trithiophen-2-ylthiophen-2-yl)thiophene

2,3-didecyl-4-thiophen-2-yl-5-(3,4,5-trithiophen-2-ylthiophen-2-yl)thiophene (PubChem CID 54105349) has the molecular formula C44H54S6 and a molecular weight of 775.32 g/mol. Its IUPAC name is 2,3-didecyl-4-thiophen-2-yl-5-(3,4,5-trithiophen-2-ylthiophen-2-yl)thiophene.

Molecular Properties

Compound Name2,3-didecyl-4-thiophen-2-yl-5-(3,4,5-trithiophen-2-ylthiophen-2-yl)thiophene
PubChem CID54105349
Molecular FormulaC44H54S6
Molecular Weight775.32 g/mol
Exact Mass774.25
IUPAC Name2,3-didecyl-4-thiophen-2-yl-5-(3,4,5-trithiophen-2-ylthiophen-2-yl)thiophene
SMILESCCCCCCCCCCc1sc(-c2sc(-c3cccs3)c(-c3cccs3)c2-c2cccs2)c(-c2cccs2)c1CCCCCCCCCC
InChIInChI=1S/C44H54S6/c1-3-5-7-9-11-13-15-17-23-33-34(24-18-16-14-12-10-8-6-4-2)49-43(39(33)35-25-19-29-45-35)44-41(37-27-21-31-47-37)40(36-26-20-30-46-36)42(50-44)38-28-22-32-48-38/h19-22,25-32H,3-18,23-24H2,1-2H3
InChIKeyNDIXROPGFKLCRR-UHFFFAOYSA-N
XLogP17.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds23
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500775.32
LogP ≤ 517.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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
1-(3-hexylthiophen-2-yl)-3-thiophen-2-yl-2-benzothiophene
CID 10667631
3-decyl-5-(4-decyl-5-thiophen-2-ylthiophen-2-yl)-2-thiophen-2-ylthiophene
CID 15363325
4-nonyl-2-(4-nonyl-5-thiophen-2-yl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1,3-thiazole
CID 101449342
3,4-dihexyl-2-[5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 90025368
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
5,9-dihexyl-4-[5-(2,3,4,5,6-pentafluorobenzoyl)thiophen-2-yl]-10-thiophen-2-yl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-7-one
CID 90313177
3-hexyl-5-phenyl-2-thiophen-2-ylthiophene
CID 132551010
dibutyl-[4-ethyl-5-(3,4,5-trithiophen-2-ylthiophen-2-yl)thiophen-3-yl]silane;2-(3-ethylthiophen-2-yl)-3,4,5-trithiophen-2-ylthiophene
CID 173039957
5-(2-hexyldecyl)-1,3-dithiophen-2-ylthieno[3,4-c]pyrrole-4,6-dione
CID 142734903
4-hexyl-2-[5-(4-hexyl-2-thiophen-2-yl-1,3-thiazol-5-yl)thiophen-2-yl]-5-thiophen-2-yl-1,3-thiazole
CID 59297189
4,5-dihexyl-3,7λ6,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene 7,7-dioxide
CID 141147186

Frequently Asked Questions

What is the IUPAC name of 2,3-didecyl-4-thiophen-2-yl-5-(3,4,5-trithiophen-2-ylthiophen-2-yl)thiophene?
The IUPAC name of 2,3-didecyl-4-thiophen-2-yl-5-(3,4,5-trithiophen-2-ylthiophen-2-yl)thiophene (CID 54105349) is 2,3-didecyl-4-thiophen-2-yl-5-(3,4,5-trithiophen-2-ylthiophen-2-yl)thiophene.
What is the SMILES notation for 2,3-didecyl-4-thiophen-2-yl-5-(3,4,5-trithiophen-2-ylthiophen-2-yl)thiophene?
The canonical SMILES for 2,3-didecyl-4-thiophen-2-yl-5-(3,4,5-trithiophen-2-ylthiophen-2-yl)thiophene is CCCCCCCCCCc1sc(-c2sc(-c3cccs3)c(-c3cccs3)c2-c2cccs2)c(-c2cccs2)c1CCCCCCCCCC.
What is the InChIKey of 2,3-didecyl-4-thiophen-2-yl-5-(3,4,5-trithiophen-2-ylthiophen-2-yl)thiophene?
The InChIKey is NDIXROPGFKLCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H54S6/c1-3-5-7-9-11-13-15-17-23-33-34(24-18-16-14-12-10-8-6-4-2)49-43(39(33)35-25-19-29-45-35)44-41(37-27-21-31-47-37)40(36-26-20-30-46-36)42(50-44)38-28-22-32-48-38/h19-22,25-32H,3-18,23-24H2,1-2H3.
What are the key properties of 2,3-didecyl-4-thiophen-2-yl-5-(3,4,5-trithiophen-2-ylthiophen-2-yl)thiophene?
2,3-didecyl-4-thiophen-2-yl-5-(3,4,5-trithiophen-2-ylthiophen-2-yl)thiophene has a molecular weight of 775.32 g/mol, XLogP of 17.76, 23 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-didecyl-4-thiophen-2-yl-5-(3,4,5-trithiophen-2-ylthiophen-2-yl)thiophene is sourced from PubChem (CID 54105349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).