4,11-dimethyl-7,14-dithiophen-2-yl-5,12-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(14),2(6),3,7,9(13),10-hexaene

C22H14S4 — CID 126765639

IUPAC4,11-dimethyl-7,14-dithiophen-2-yl-5,12-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(14),2(6),3,7,9(13),10-hexaene
SMILESCc1cc2c(s1)C(c1cccs1)=C1C2=C(c2cccs2)c2sc(C)cc21
InChIInChI=1S/C22H14S4/c1-11-9-13-17-18(19(21(13)25-11)15-5-3-7-23-15)14-10-12(2)26-22(14)20(17)16-6-4-8-24-16/h3-10H,1-2H3
InChIKeyUUDDNEOIQPONTF-UHFFFAOYSA-N
MW406.62 g/mol
LogP7.79
Rot. Bonds2

About 4,11-dimethyl-7,14-dithiophen-2-yl-5,12-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(14),2(6),3,7,9(13),10-hexaene

4,11-dimethyl-7,14-dithiophen-2-yl-5,12-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(14),2(6),3,7,9(13),10-hexaene (PubChem CID 126765639) has the molecular formula C22H14S4 and a molecular weight of 406.62 g/mol. Its IUPAC name is 4,11-dimethyl-7,14-dithiophen-2-yl-5,12-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(14),2(6),3,7,9(13),10-hexaene.

Molecular Properties

Compound Name4,11-dimethyl-7,14-dithiophen-2-yl-5,12-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(14),2(6),3,7,9(13),10-hexaene
PubChem CID126765639
Molecular FormulaC22H14S4
Molecular Weight406.62 g/mol
Exact Mass406.00
IUPAC Name4,11-dimethyl-7,14-dithiophen-2-yl-5,12-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(14),2(6),3,7,9(13),10-hexaene
SMILESCc1cc2c(s1)C(c1cccs1)=C1C2=C(c2cccs2)c2sc(C)cc21
InChIInChI=1S/C22H14S4/c1-11-9-13-17-18(19(21(13)25-11)15-5-3-7-23-15)14-10-12(2)26-22(14)20(17)16-6-4-8-24-16/h3-10H,1-2H3
InChIKeyUUDDNEOIQPONTF-UHFFFAOYSA-N
XLogP7.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.62
LogP ≤ 57.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4,11-dimethyl-7,14-dithiophen-2-yl-5,12-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(14),2(6),3,7,9(13),10-hexaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methylthiophene
CID 143626612
7,14-bis(5-methylthiophen-2-yl)-5,12-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(14),2(6),3,7,9(13),10-hexaene
CID 129025887
5-bromo-2-(2,5-dimethylthiophen-3-yl)-3-thiophen-2-ylcyclopent-2-en-1-one
CID 71484785
4-methyl-7-methylidene-5,9-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene
CID 118449692
5-methyl-4-thiophen-2-ylthiophen-2-amine
CID 82399962
2-methylthiophene;hydroiodide
CID 173425781
ethane;2-methylthiophene
CID 90990568
3-methyl-2-[5-[5-(3-methyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophene
CID 59476051
2,5-dithiophen-2-ylthiophene;ethane
CID 169103820
2-(2,4-dimethylphenyl)thiophene
CID 12781163
2-methyl-5-thiophen-2-ylthiophene;propane
CID 142257628
sodium;hydride;2-methylthiophene
CID 173118231

Frequently Asked Questions

What is the IUPAC name of 4,11-dimethyl-7,14-dithiophen-2-yl-5,12-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(14),2(6),3,7,9(13),10-hexaene?
The IUPAC name of 4,11-dimethyl-7,14-dithiophen-2-yl-5,12-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(14),2(6),3,7,9(13),10-hexaene (CID 126765639) is 4,11-dimethyl-7,14-dithiophen-2-yl-5,12-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(14),2(6),3,7,9(13),10-hexaene.
What is the SMILES notation for 4,11-dimethyl-7,14-dithiophen-2-yl-5,12-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(14),2(6),3,7,9(13),10-hexaene?
The canonical SMILES for 4,11-dimethyl-7,14-dithiophen-2-yl-5,12-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(14),2(6),3,7,9(13),10-hexaene is Cc1cc2c(s1)C(c1cccs1)=C1C2=C(c2cccs2)c2sc(C)cc21.
What is the InChIKey of 4,11-dimethyl-7,14-dithiophen-2-yl-5,12-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(14),2(6),3,7,9(13),10-hexaene?
The InChIKey is UUDDNEOIQPONTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14S4/c1-11-9-13-17-18(19(21(13)25-11)15-5-3-7-23-15)14-10-12(2)26-22(14)20(17)16-6-4-8-24-16/h3-10H,1-2H3.
What are the key properties of 4,11-dimethyl-7,14-dithiophen-2-yl-5,12-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(14),2(6),3,7,9(13),10-hexaene?
4,11-dimethyl-7,14-dithiophen-2-yl-5,12-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(14),2(6),3,7,9(13),10-hexaene has a molecular weight of 406.62 g/mol, XLogP of 7.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,11-dimethyl-7,14-dithiophen-2-yl-5,12-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(14),2(6),3,7,9(13),10-hexaene is sourced from PubChem (CID 126765639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).