7-fluoro-5-[(6-fluoro-4H-thieno[3,2-b]indol-2-yl)methyl]-2-methyl-4H-thieno[3,2-b]indole

C22H14F2N2S2 — CID 138747733

IUPAC7-fluoro-5-[(6-fluoro-4H-thieno[3,2-b]indol-2-yl)methyl]-2-methyl-4H-thieno[3,2-b]indole
SMILESCc1cc2[nH]c3c(Cc4cc5[nH]c6cc(F)ccc6c5s4)cc(F)cc3c2s1
InChIInChI=1S/C22H14F2N2S2/c1-10-4-18-22(27-10)16-7-13(24)5-11(20(16)26-18)6-14-9-19-21(28-14)15-3-2-12(23)8-17(15)25-19/h2-5,7-9,25-26H,6H2,1H3
InChIKeyJPUAZDOBZNMIBN-UHFFFAOYSA-N
MW408.50 g/mol
LogP7.26
Rot. Bonds2

About 7-fluoro-5-[(6-fluoro-4H-thieno[3,2-b]indol-2-yl)methyl]-2-methyl-4H-thieno[3,2-b]indole

7-fluoro-5-[(6-fluoro-4H-thieno[3,2-b]indol-2-yl)methyl]-2-methyl-4H-thieno[3,2-b]indole (PubChem CID 138747733) has the molecular formula C22H14F2N2S2 and a molecular weight of 408.50 g/mol. Its IUPAC name is 7-fluoro-5-[(6-fluoro-4H-thieno[3,2-b]indol-2-yl)methyl]-2-methyl-4H-thieno[3,2-b]indole.

Molecular Properties

Compound Name7-fluoro-5-[(6-fluoro-4H-thieno[3,2-b]indol-2-yl)methyl]-2-methyl-4H-thieno[3,2-b]indole
PubChem CID138747733
Molecular FormulaC22H14F2N2S2
Molecular Weight408.50 g/mol
Exact Mass408.06
IUPAC Name7-fluoro-5-[(6-fluoro-4H-thieno[3,2-b]indol-2-yl)methyl]-2-methyl-4H-thieno[3,2-b]indole
SMILESCc1cc2[nH]c3c(Cc4cc5[nH]c6cc(F)ccc6c5s4)cc(F)cc3c2s1
InChIInChI=1S/C22H14F2N2S2/c1-10-4-18-22(27-10)16-7-13(24)5-11(20(16)26-18)6-14-9-19-21(28-14)15-3-2-12(23)8-17(15)25-19/h2-5,7-9,25-26H,6H2,1H3
InChIKeyJPUAZDOBZNMIBN-UHFFFAOYSA-N
XLogP7.26
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.50
LogP ≤ 57.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-[(6-fluoro-4H-thieno[3,2-b]indol-2-yl)methyl]-2-methyl-4H-thieno[3,2-b]indole?
The IUPAC name of 7-fluoro-5-[(6-fluoro-4H-thieno[3,2-b]indol-2-yl)methyl]-2-methyl-4H-thieno[3,2-b]indole (CID 138747733) is 7-fluoro-5-[(6-fluoro-4H-thieno[3,2-b]indol-2-yl)methyl]-2-methyl-4H-thieno[3,2-b]indole.
What is the SMILES notation for 7-fluoro-5-[(6-fluoro-4H-thieno[3,2-b]indol-2-yl)methyl]-2-methyl-4H-thieno[3,2-b]indole?
The canonical SMILES for 7-fluoro-5-[(6-fluoro-4H-thieno[3,2-b]indol-2-yl)methyl]-2-methyl-4H-thieno[3,2-b]indole is Cc1cc2[nH]c3c(Cc4cc5[nH]c6cc(F)ccc6c5s4)cc(F)cc3c2s1.
What is the InChIKey of 7-fluoro-5-[(6-fluoro-4H-thieno[3,2-b]indol-2-yl)methyl]-2-methyl-4H-thieno[3,2-b]indole?
The InChIKey is JPUAZDOBZNMIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F2N2S2/c1-10-4-18-22(27-10)16-7-13(24)5-11(20(16)26-18)6-14-9-19-21(28-14)15-3-2-12(23)8-17(15)25-19/h2-5,7-9,25-26H,6H2,1H3.
What are the key properties of 7-fluoro-5-[(6-fluoro-4H-thieno[3,2-b]indol-2-yl)methyl]-2-methyl-4H-thieno[3,2-b]indole?
7-fluoro-5-[(6-fluoro-4H-thieno[3,2-b]indol-2-yl)methyl]-2-methyl-4H-thieno[3,2-b]indole has a molecular weight of 408.50 g/mol, XLogP of 7.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-[(6-fluoro-4H-thieno[3,2-b]indol-2-yl)methyl]-2-methyl-4H-thieno[3,2-b]indole is sourced from PubChem (CID 138747733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).