5-[4-dodecyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]-8-[4-dodecyl-5-[5-(2,3,5,6-tetrafluoro-4-methylphenyl)thiophen-2-yl]thiophen-2-yl]-2,3-dithiophen-2-ylquinoxaline

C64H70F4N2S6 — CID 59718119

IUPAC5-[4-dodecyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]-8-[4-dodecyl-5-[5-(2,3,5,6-tetrafluoro-4-methylphenyl)thiophen-2-yl]thiophen-2-yl]-2,3-dithiophen-2-ylquinoxaline
SMILESCCCCCCCCCCCCc1cc(-c2ccc(-c3cc(CCCCCCCCCCCC)c(-c4ccc(-c5c(F)c(F)c(C)c(F)c5F)s4)s3)c3nc(-c4cccs4)c(-c4cccs4)nc23)sc1-c1ccc(C)s1
InChIInChI=1S/C64H70F4N2S6/c1-5-7-9-11-13-15-17-19-21-23-27-43-39-52(75-63(43)50-34-31-41(3)73-50)45-32-33-46(60-59(45)69-61(48-29-25-37-71-48)62(70-60)49-30-26-38-72-49)53-40-44(28-24-22-20-18-16-14-12-10-8-6-2)64(76-53)51-36-35-47(74-51)54-57(67)55(65)42(4)56(66)58(54)68/h25-26,29-40H,5-24,27-28H2,1-4H3
InChIKeyZBENMYVAAYIMCF-UHFFFAOYSA-N
MW1135.67 g/mol
LogP23.77
Rot. Bonds29

About 5-[4-dodecyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]-8-[4-dodecyl-5-[5-(2,3,5,6-tetrafluoro-4-methylphenyl)thiophen-2-yl]thiophen-2-yl]-2,3-dithiophen-2-ylquinoxaline

5-[4-dodecyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]-8-[4-dodecyl-5-[5-(2,3,5,6-tetrafluoro-4-methylphenyl)thiophen-2-yl]thiophen-2-yl]-2,3-dithiophen-2-ylquinoxaline (PubChem CID 59718119) has the molecular formula C64H70F4N2S6 and a molecular weight of 1135.67 g/mol. Its IUPAC name is 5-[4-dodecyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]-8-[4-dodecyl-5-[5-(2,3,5,6-tetrafluoro-4-methylphenyl)thiophen-2-yl]thiophen-2-yl]-2,3-dithiophen-2-ylquinoxaline.

Molecular Properties

Compound Name5-[4-dodecyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]-8-[4-dodecyl-5-[5-(2,3,5,6-tetrafluoro-4-methylphenyl)thiophen-2-yl]thiophen-2-yl]-2,3-dithiophen-2-ylquinoxaline
PubChem CID59718119
Molecular FormulaC64H70F4N2S6
Molecular Weight1135.67 g/mol
Exact Mass1134.38
IUPAC Name5-[4-dodecyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]-8-[4-dodecyl-5-[5-(2,3,5,6-tetrafluoro-4-methylphenyl)thiophen-2-yl]thiophen-2-yl]-2,3-dithiophen-2-ylquinoxaline
SMILESCCCCCCCCCCCCc1cc(-c2ccc(-c3cc(CCCCCCCCCCCC)c(-c4ccc(-c5c(F)c(F)c(C)c(F)c5F)s4)s3)c3nc(-c4cccs4)c(-c4cccs4)nc23)sc1-c1ccc(C)s1
InChIInChI=1S/C64H70F4N2S6/c1-5-7-9-11-13-15-17-19-21-23-27-43-39-52(75-63(43)50-34-31-41(3)73-50)45-32-33-46(60-59(45)69-61(48-29-25-37-71-48)62(70-60)49-30-26-38-72-49)53-40-44(28-24-22-20-18-16-14-12-10-8-6-2)64(76-53)51-36-35-47(74-51)54-57(67)55(65)42(4)56(66)58(54)68/h25-26,29-40H,5-24,27-28H2,1-4H3
InChIKeyZBENMYVAAYIMCF-UHFFFAOYSA-N
XLogP23.77
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds29
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001135.67
LogP ≤ 523.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 5-[4-dodecyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]-8-[4-dodecyl-5-[5-(2,3,5,6-tetrafluoro-4-methylphenyl)thiophen-2-yl]thiophen-2-yl]-2,3-dithiophen-2-ylquinoxaline with MolForge

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Related Compounds

3-decyl-5-(4-decyl-5-thiophen-2-ylthiophen-2-yl)-2-thiophen-2-ylthiophene
CID 15363325
CID 158788356
CID 158788356
2,5-bis[5-(5-methylthiophen-2-yl)-4-tetradecylthiophen-2-yl]thieno[3,2-b]thiophene
CID 59638614
[5-[3-butyl-5-[4-butyl-5-[5-(4-butyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-trimethylsilane
CID 10700156
3-hexyl-5-phenyl-2-thiophen-2-ylthiophene
CID 132551010
4-(4-hexyl-5-methylthiophen-2-yl)-7-(5-methylthiophen-2-yl)-2,1,3-benzothiadiazole
CID 147935099
7,8-didecoxy-1,4-bis(5-thiophen-2-ylthiophen-2-yl)phenazine
CID 102340610
3-hexyl-2-[5-[5-[3-hexyl-5-[4-hexyl-5-[5-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-methylthiophene
CID 101128225
2-[2-[5-[3-(2-aminoethyl)-5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophen-3-yl]ethanamine;ethane
CID 143976151
3-octadecyl-5-[3-octadecyl-5-[5-[4-octadecyl-5-[4-octadecyl-5-[5-[5-[3-octadecyl-5-(3-octadecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2-[5-[5-[3-octadecyl-5-(3-octadecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 100961610
2,3-dioctyl-5,8-bis(3-octylthiophen-2-yl)quinoxaline
CID 141269539
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

Frequently Asked Questions

What is the IUPAC name of 5-[4-dodecyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]-8-[4-dodecyl-5-[5-(2,3,5,6-tetrafluoro-4-methylphenyl)thiophen-2-yl]thiophen-2-yl]-2,3-dithiophen-2-ylquinoxaline?
The IUPAC name of 5-[4-dodecyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]-8-[4-dodecyl-5-[5-(2,3,5,6-tetrafluoro-4-methylphenyl)thiophen-2-yl]thiophen-2-yl]-2,3-dithiophen-2-ylquinoxaline (CID 59718119) is 5-[4-dodecyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]-8-[4-dodecyl-5-[5-(2,3,5,6-tetrafluoro-4-methylphenyl)thiophen-2-yl]thiophen-2-yl]-2,3-dithiophen-2-ylquinoxaline.
What is the SMILES notation for 5-[4-dodecyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]-8-[4-dodecyl-5-[5-(2,3,5,6-tetrafluoro-4-methylphenyl)thiophen-2-yl]thiophen-2-yl]-2,3-dithiophen-2-ylquinoxaline?
The canonical SMILES for 5-[4-dodecyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]-8-[4-dodecyl-5-[5-(2,3,5,6-tetrafluoro-4-methylphenyl)thiophen-2-yl]thiophen-2-yl]-2,3-dithiophen-2-ylquinoxaline is CCCCCCCCCCCCc1cc(-c2ccc(-c3cc(CCCCCCCCCCCC)c(-c4ccc(-c5c(F)c(F)c(C)c(F)c5F)s4)s3)c3nc(-c4cccs4)c(-c4cccs4)nc23)sc1-c1ccc(C)s1.
What is the InChIKey of 5-[4-dodecyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]-8-[4-dodecyl-5-[5-(2,3,5,6-tetrafluoro-4-methylphenyl)thiophen-2-yl]thiophen-2-yl]-2,3-dithiophen-2-ylquinoxaline?
The InChIKey is ZBENMYVAAYIMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H70F4N2S6/c1-5-7-9-11-13-15-17-19-21-23-27-43-39-52(75-63(43)50-34-31-41(3)73-50)45-32-33-46(60-59(45)69-61(48-29-25-37-71-48)62(70-60)49-30-26-38-72-49)53-40-44(28-24-22-20-18-16-14-12-10-8-6-2)64(76-53)51-36-35-47(74-51)54-57(67)55(65)42(4)56(66)58(54)68/h25-26,29-40H,5-24,27-28H2,1-4H3.
What are the key properties of 5-[4-dodecyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]-8-[4-dodecyl-5-[5-(2,3,5,6-tetrafluoro-4-methylphenyl)thiophen-2-yl]thiophen-2-yl]-2,3-dithiophen-2-ylquinoxaline?
5-[4-dodecyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]-8-[4-dodecyl-5-[5-(2,3,5,6-tetrafluoro-4-methylphenyl)thiophen-2-yl]thiophen-2-yl]-2,3-dithiophen-2-ylquinoxaline has a molecular weight of 1135.67 g/mol, XLogP of 23.77, 29 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-dodecyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]-8-[4-dodecyl-5-[5-(2,3,5,6-tetrafluoro-4-methylphenyl)thiophen-2-yl]thiophen-2-yl]-2,3-dithiophen-2-ylquinoxaline is sourced from PubChem (CID 59718119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).