5,12-diiodo-4,11-bis(6-iodo-2-methylthieno[3,2-b]thiophen-5-yl)-3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene

C24H8I4S8 — CID 58339890

IUPAC5,12-diiodo-4,11-bis(6-iodo-2-methylthieno[3,2-b]thiophen-5-yl)-3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene
SMILESCc1cc2sc(-c3sc4c(sc5c6sc(-c7sc8cc(C)sc8c7I)c(I)c6sc45)c3I)c(I)c2s1
InChIInChI=1S/C24H8I4S8/c1-5-3-7-13(29-5)9(25)15(31-7)17-11(27)19-21(33-17)23-24(35-19)22-20(36-23)12(28)18(34-22)16-10(26)14-8(32-16)4-6(2)30-14/h3-4H,1-2H3
InChIKeyXXMAOOSSAXGQJA-UHFFFAOYSA-N
MW1060.48 g/mol
LogP14.31
Rot. Bonds2

About 5,12-diiodo-4,11-bis(6-iodo-2-methylthieno[3,2-b]thiophen-5-yl)-3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene

5,12-diiodo-4,11-bis(6-iodo-2-methylthieno[3,2-b]thiophen-5-yl)-3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene (PubChem CID 58339890) has the molecular formula C24H8I4S8 and a molecular weight of 1060.48 g/mol. Its IUPAC name is 5,12-diiodo-4,11-bis(6-iodo-2-methylthieno[3,2-b]thiophen-5-yl)-3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene.

Molecular Properties

Compound Name5,12-diiodo-4,11-bis(6-iodo-2-methylthieno[3,2-b]thiophen-5-yl)-3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene
PubChem CID58339890
Molecular FormulaC24H8I4S8
Molecular Weight1060.48 g/mol
Exact Mass1059.46
IUPAC Name5,12-diiodo-4,11-bis(6-iodo-2-methylthieno[3,2-b]thiophen-5-yl)-3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene
SMILESCc1cc2sc(-c3sc4c(sc5c6sc(-c7sc8cc(C)sc8c7I)c(I)c6sc45)c3I)c(I)c2s1
InChIInChI=1S/C24H8I4S8/c1-5-3-7-13(29-5)9(25)15(31-7)17-11(27)19-21(33-17)23-24(35-19)22-20(36-23)12(28)18(34-22)16-10(26)14-8(32-16)4-6(2)30-14/h3-4H,1-2H3
InChIKeyXXMAOOSSAXGQJA-UHFFFAOYSA-N
XLogP14.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001060.48
LogP ≤ 514.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 5,12-diiodo-4,11-bis(6-iodo-2-methylthieno[3,2-b]thiophen-5-yl)-3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,12-diiodo-4,11-bis(6-iodo-2-methylthieno[3,2-b]thiophen-5-yl)-3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene?
The IUPAC name of 5,12-diiodo-4,11-bis(6-iodo-2-methylthieno[3,2-b]thiophen-5-yl)-3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene (CID 58339890) is 5,12-diiodo-4,11-bis(6-iodo-2-methylthieno[3,2-b]thiophen-5-yl)-3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene.
What is the SMILES notation for 5,12-diiodo-4,11-bis(6-iodo-2-methylthieno[3,2-b]thiophen-5-yl)-3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene?
The canonical SMILES for 5,12-diiodo-4,11-bis(6-iodo-2-methylthieno[3,2-b]thiophen-5-yl)-3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene is Cc1cc2sc(-c3sc4c(sc5c6sc(-c7sc8cc(C)sc8c7I)c(I)c6sc45)c3I)c(I)c2s1.
What is the InChIKey of 5,12-diiodo-4,11-bis(6-iodo-2-methylthieno[3,2-b]thiophen-5-yl)-3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene?
The InChIKey is XXMAOOSSAXGQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H8I4S8/c1-5-3-7-13(29-5)9(25)15(31-7)17-11(27)19-21(33-17)23-24(35-19)22-20(36-23)12(28)18(34-22)16-10(26)14-8(32-16)4-6(2)30-14/h3-4H,1-2H3.
What are the key properties of 5,12-diiodo-4,11-bis(6-iodo-2-methylthieno[3,2-b]thiophen-5-yl)-3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene?
5,12-diiodo-4,11-bis(6-iodo-2-methylthieno[3,2-b]thiophen-5-yl)-3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene has a molecular weight of 1060.48 g/mol, XLogP of 14.31, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,12-diiodo-4,11-bis(6-iodo-2-methylthieno[3,2-b]thiophen-5-yl)-3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene is sourced from PubChem (CID 58339890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).