4-nonyl-2-(4-nonylthiophen-2-yl)thiophene

C26H42S2 — CID 139119009

IUPAC4-nonyl-2-(4-nonylthiophen-2-yl)thiophene
SMILESCCCCCCCCCc1csc(-c2cc(CCCCCCCCC)cs2)c1
InChIInChI=1S/C26H42S2/c1-3-5-7-9-11-13-15-17-23-19-25(27-21-23)26-20-24(22-28-26)18-16-14-12-10-8-6-4-2/h19-22H,3-18H2,1-2H3
InChIKeyRBCGIGNZWBQAHK-UHFFFAOYSA-N
MW418.76 g/mol
LogP10.06
Rot. Bonds17

About 4-nonyl-2-(4-nonylthiophen-2-yl)thiophene

4-nonyl-2-(4-nonylthiophen-2-yl)thiophene (PubChem CID 139119009) has the molecular formula C26H42S2 and a molecular weight of 418.76 g/mol. Its IUPAC name is 4-nonyl-2-(4-nonylthiophen-2-yl)thiophene.

Molecular Properties

Compound Name4-nonyl-2-(4-nonylthiophen-2-yl)thiophene
PubChem CID139119009
Molecular FormulaC26H42S2
Molecular Weight418.76 g/mol
Exact Mass418.27
IUPAC Name4-nonyl-2-(4-nonylthiophen-2-yl)thiophene
SMILESCCCCCCCCCc1csc(-c2cc(CCCCCCCCC)cs2)c1
InChIInChI=1S/C26H42S2/c1-3-5-7-9-11-13-15-17-23-19-25(27-21-23)26-20-24(22-28-26)18-16-14-12-10-8-6-4-2/h19-22H,3-18H2,1-2H3
InChIKeyRBCGIGNZWBQAHK-UHFFFAOYSA-N
XLogP10.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.76
LogP ≤ 510.06
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

4-hexyl-2-[4-(4-hexylthiophen-2-yl)-2,5-dimethylphenyl]thiophene
CID 101038762
4-hexyl-2-(4-methylphenyl)thiophene
CID 102312853
5-(4-hexylthiophen-2-yl)-2-[5-(4-hexylthiophen-2-yl)-1,3-thiazol-2-yl]-1,3-thiazole
CID 102412162
4-(4-butylthiophen-2-yl)-11-(4-octylthiophen-2-yl)-5,7,12,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),3,9(13),10-pentaene
CID 130351900
1,4-bis[5-(4-hexylthiophen-2-yl)thiophen-2-yl]-2,5-dimethylpyrrolo[3,4-c]pyrrole-3,6-dione
CID 102173902
4,7-bis(4-hexylthiophen-2-yl)-5,6-di(tetradecoxy)-2,1,3-benzothiadiazole
CID 89485428
4-dodecylthiophene-2-carboxylic acid
CID 70496185
sodium (4-dodecylthiophen-2-yl)-trihydroxyboranuide
CID 23697394
disodium;(4-octylthiophen-2-yl)-dioxidoborane
CID 177471091
3-hexyl-2-[4-hexyl-5-(4-hexylthiophen-2-yl)thiophen-2-yl]-5-(3-hexylthiophen-2-yl)thiophene
CID 10818171
4-bromo-7-(4-hexylthiophen-2-yl)-2,1,3-benzothiadiazole
CID 58323952
2-[9,9-dihexyl-7-(4-hexylthiophen-2-yl)fluoren-2-yl]-4-hexylthiophene
CID 68700338

Frequently Asked Questions

What is the IUPAC name of 4-nonyl-2-(4-nonylthiophen-2-yl)thiophene?
The IUPAC name of 4-nonyl-2-(4-nonylthiophen-2-yl)thiophene (CID 139119009) is 4-nonyl-2-(4-nonylthiophen-2-yl)thiophene.
What is the SMILES notation for 4-nonyl-2-(4-nonylthiophen-2-yl)thiophene?
The canonical SMILES for 4-nonyl-2-(4-nonylthiophen-2-yl)thiophene is CCCCCCCCCc1csc(-c2cc(CCCCCCCCC)cs2)c1.
What is the InChIKey of 4-nonyl-2-(4-nonylthiophen-2-yl)thiophene?
The InChIKey is RBCGIGNZWBQAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42S2/c1-3-5-7-9-11-13-15-17-23-19-25(27-21-23)26-20-24(22-28-26)18-16-14-12-10-8-6-4-2/h19-22H,3-18H2,1-2H3.
What are the key properties of 4-nonyl-2-(4-nonylthiophen-2-yl)thiophene?
4-nonyl-2-(4-nonylthiophen-2-yl)thiophene has a molecular weight of 418.76 g/mol, XLogP of 10.06, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nonyl-2-(4-nonylthiophen-2-yl)thiophene is sourced from PubChem (CID 139119009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).