6-bromo-5-[3,6-dibromo-5-[6-bromo-2-(dimethylamino)thieno[3,2-b]thiophen-5-yl]thieno[3,2-b]thiophen-2-yl]-N,N-dimethylthieno[3,2-b]thiophen-2-amine

C22H14Br4N2S6 — CID 58339988

About 6-bromo-5-[3,6-dibromo-5-[6-bromo-2-(dimethylamino)thieno[3,2-b]thiophen-5-yl]thieno[3,2-b]thiophen-2-yl]-N,N-dimethylthieno[3,2-b]thiophen-2-amine

6-bromo-5-[3,6-dibromo-5-[6-bromo-2-(dimethylamino)thieno[3,2-b]thiophen-5-yl]thieno[3,2-b]thiophen-2-yl]-N,N-dimethylthieno[3,2-b]thiophen-2-amine (PubChem CID 58339988) has the molecular formula C22H14Br4N2S6 and a molecular weight of 818.39 g/mol. Its IUPAC name is 6-bromo-5-[3,6-dibromo-5-[6-bromo-2-(dimethylamino)thieno[3,2-b]thiophen-5-yl]thieno[3,2-b]thiophen-2-yl]-N,N-dimethylthieno[3,2-b]thiophen-2-amine.

Molecular Properties

• Compound Name: 6-bromo-5-[3,6-dibromo-5-[6-bromo-2-(dimethylamino)thieno[3,2-b]thiophen-5-yl]thieno[3,2-b]thiophen-2-yl]-N,N-dimethylthieno[3,2-b]thiophen-2-amine
• PubChem CID: 58339988
• Molecular Formula: C22H14Br4N2S6
• Molecular Weight: 818.39 g/mol
• Exact Mass: 813.62
• IUPAC Name: 6-bromo-5-[3,6-dibromo-5-[6-bromo-2-(dimethylamino)thieno[3,2-b]thiophen-5-yl]thieno[3,2-b]thiophen-2-yl]-N,N-dimethylthieno[3,2-b]thiophen-2-amine
• SMILES: CN(C)c1cc2sc(-c3sc4c(Br)c(-c5sc6cc(N(C)C)sc6c5Br)sc4c3Br)c(Br)c2s1
• InChI: InChI=1S/C22H14Br4N2S6/c1-27(2)9-5-7-15(31-9)11(23)17(29-7)19-13(25)21-22(33-19)14(26)20(34-21)18-12(24)16-8(30-18)6-10(32-16)28(3)4/h5-6H,1-4H3
• InChIKey: SDQFGZJKWUKBCP-UHFFFAOYSA-N
• XLogP: 12.03
• TPSA: 6.48 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	818.39
LogP ≤ 5	12.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-[3,6-dibromo-5-[6-bromo-2-(dimethylamino)thieno[3,2-b]thiophen-5-yl]thieno[3,2-b]thiophen-2-yl]-N,N-dimethylthieno[3,2-b]thiophen-2-amine?

The IUPAC name of 6-bromo-5-[3,6-dibromo-5-[6-bromo-2-(dimethylamino)thieno[3,2-b]thiophen-5-yl]thieno[3,2-b]thiophen-2-yl]-N,N-dimethylthieno[3,2-b]thiophen-2-amine (CID 58339988) is 6-bromo-5-[3,6-dibromo-5-[6-bromo-2-(dimethylamino)thieno[3,2-b]thiophen-5-yl]thieno[3,2-b]thiophen-2-yl]-N,N-dimethylthieno[3,2-b]thiophen-2-amine.

What is the SMILES notation for 6-bromo-5-[3,6-dibromo-5-[6-bromo-2-(dimethylamino)thieno[3,2-b]thiophen-5-yl]thieno[3,2-b]thiophen-2-yl]-N,N-dimethylthieno[3,2-b]thiophen-2-amine?

The canonical SMILES for 6-bromo-5-[3,6-dibromo-5-[6-bromo-2-(dimethylamino)thieno[3,2-b]thiophen-5-yl]thieno[3,2-b]thiophen-2-yl]-N,N-dimethylthieno[3,2-b]thiophen-2-amine is CN(C)c1cc2sc(-c3sc4c(Br)c(-c5sc6cc(N(C)C)sc6c5Br)sc4c3Br)c(Br)c2s1.

What is the InChIKey of 6-bromo-5-[3,6-dibromo-5-[6-bromo-2-(dimethylamino)thieno[3,2-b]thiophen-5-yl]thieno[3,2-b]thiophen-2-yl]-N,N-dimethylthieno[3,2-b]thiophen-2-amine?

The InChIKey is SDQFGZJKWUKBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Br4N2S6/c1-27(2)9-5-7-15(31-9)11(23)17(29-7)19-13(25)21-22(33-19)14(26)20(34-21)18-12(24)16-8(30-18)6-10(32-16)28(3)4/h5-6H,1-4H3.

What are the key properties of 6-bromo-5-[3,6-dibromo-5-[6-bromo-2-(dimethylamino)thieno[3,2-b]thiophen-5-yl]thieno[3,2-b]thiophen-2-yl]-N,N-dimethylthieno[3,2-b]thiophen-2-amine?

6-bromo-5-[3,6-dibromo-5-[6-bromo-2-(dimethylamino)thieno[3,2-b]thiophen-5-yl]thieno[3,2-b]thiophen-2-yl]-N,N-dimethylthieno[3,2-b]thiophen-2-amine has a molecular weight of 818.39 g/mol, XLogP of 12.03, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-5-[3,6-dibromo-5-[6-bromo-2-(dimethylamino)thieno[3,2-b]thiophen-5-yl]thieno[3,2-b]thiophen-2-yl]-N,N-dimethylthieno[3,2-b]thiophen-2-amine is sourced from PubChem (CID 58339988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).