5-methoxy-3-[5-(5-methoxy-1H-indol-3-yl)thiophen-2-yl]-1H-indole

C22H18N2O2S — CID 16739281

IUPAC5-methoxy-3-[5-(5-methoxy-1H-indol-3-yl)thiophen-2-yl]-1H-indole
SMILESCOc1ccc2[nH]cc(-c3ccc(-c4c[nH]c5ccc(OC)cc45)s3)c2c1
InChIInChI=1S/C22H18N2O2S/c1-25-13-3-5-19-15(9-13)17(11-23-19)21-7-8-22(27-21)18-12-24-20-6-4-14(26-2)10-16(18)20/h3-12,23-24H,1-2H3
InChIKeyNNPXTSJASGWGIW-UHFFFAOYSA-N
MW374.47 g/mol
LogP6.06
Rot. Bonds4

About 5-methoxy-3-[5-(5-methoxy-1H-indol-3-yl)thiophen-2-yl]-1H-indole

5-methoxy-3-[5-(5-methoxy-1H-indol-3-yl)thiophen-2-yl]-1H-indole (PubChem CID 16739281) has the molecular formula C22H18N2O2S and a molecular weight of 374.47 g/mol. Its IUPAC name is 5-methoxy-3-[5-(5-methoxy-1H-indol-3-yl)thiophen-2-yl]-1H-indole.

Molecular Properties

Compound Name5-methoxy-3-[5-(5-methoxy-1H-indol-3-yl)thiophen-2-yl]-1H-indole
PubChem CID16739281
Molecular FormulaC22H18N2O2S
Molecular Weight374.47 g/mol
Exact Mass374.11
IUPAC Name5-methoxy-3-[5-(5-methoxy-1H-indol-3-yl)thiophen-2-yl]-1H-indole
SMILESCOc1ccc2[nH]cc(-c3ccc(-c4c[nH]c5ccc(OC)cc45)s3)c2c1
InChIInChI=1S/C22H18N2O2S/c1-25-13-3-5-19-15(9-13)17(11-23-19)21-7-8-22(27-21)18-12-24-20-6-4-14(26-2)10-16(18)20/h3-12,23-24H,1-2H3
InChIKeyNNPXTSJASGWGIW-UHFFFAOYSA-N
XLogP6.06
TPSA50.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.47
LogP ≤ 56.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-[5-(5-methoxy-1H-indol-3-yl)thiophen-2-yl]-1H-indole?
The IUPAC name of 5-methoxy-3-[5-(5-methoxy-1H-indol-3-yl)thiophen-2-yl]-1H-indole (CID 16739281) is 5-methoxy-3-[5-(5-methoxy-1H-indol-3-yl)thiophen-2-yl]-1H-indole.
What is the SMILES notation for 5-methoxy-3-[5-(5-methoxy-1H-indol-3-yl)thiophen-2-yl]-1H-indole?
The canonical SMILES for 5-methoxy-3-[5-(5-methoxy-1H-indol-3-yl)thiophen-2-yl]-1H-indole is COc1ccc2[nH]cc(-c3ccc(-c4c[nH]c5ccc(OC)cc45)s3)c2c1.
What is the InChIKey of 5-methoxy-3-[5-(5-methoxy-1H-indol-3-yl)thiophen-2-yl]-1H-indole?
The InChIKey is NNPXTSJASGWGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2S/c1-25-13-3-5-19-15(9-13)17(11-23-19)21-7-8-22(27-21)18-12-24-20-6-4-14(26-2)10-16(18)20/h3-12,23-24H,1-2H3.
What are the key properties of 5-methoxy-3-[5-(5-methoxy-1H-indol-3-yl)thiophen-2-yl]-1H-indole?
5-methoxy-3-[5-(5-methoxy-1H-indol-3-yl)thiophen-2-yl]-1H-indole has a molecular weight of 374.47 g/mol, XLogP of 6.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-[5-(5-methoxy-1H-indol-3-yl)thiophen-2-yl]-1H-indole is sourced from PubChem (CID 16739281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).