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

C21H16N2S — CID 2940617

IUPAC3-[1H-indol-3-yl(thiophen-2-yl)methyl]-1H-indole
SMILESc1csc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)c1
InChIInChI=1S/C21H16N2S/c1-3-8-18-14(6-1)16(12-22-18)21(20-10-5-11-24-20)17-13-23-19-9-4-2-7-15(17)19/h1-13,21-23H
InChIKeyXWEFWNXAUVOFPC-UHFFFAOYSA-N
MW328.44 g/mol
LogP5.89
Rot. Bonds3

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

3-[1H-indol-3-yl(thiophen-2-yl)methyl]-1H-indole (PubChem CID 2940617) has the molecular formula C21H16N2S and a molecular weight of 328.44 g/mol. Its IUPAC name is 3-[1H-indol-3-yl(thiophen-2-yl)methyl]-1H-indole.

Molecular Properties

Compound Name3-[1H-indol-3-yl(thiophen-2-yl)methyl]-1H-indole
PubChem CID2940617
Molecular FormulaC21H16N2S
Molecular Weight328.44 g/mol
Exact Mass328.10
IUPAC Name3-[1H-indol-3-yl(thiophen-2-yl)methyl]-1H-indole
SMILESc1csc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)c1
InChIInChI=1S/C21H16N2S/c1-3-8-18-14(6-1)16(12-22-18)21(20-10-5-11-24-20)17-13-23-19-9-4-2-7-15(17)19/h1-13,21-23H
InChIKeyXWEFWNXAUVOFPC-UHFFFAOYSA-N
XLogP5.89
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.44
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[1H-indol-3-yl(thiophen-2-yl)methyl]-1H-indole?
The IUPAC name of 3-[1H-indol-3-yl(thiophen-2-yl)methyl]-1H-indole (CID 2940617) is 3-[1H-indol-3-yl(thiophen-2-yl)methyl]-1H-indole.
What is the SMILES notation for 3-[1H-indol-3-yl(thiophen-2-yl)methyl]-1H-indole?
The canonical SMILES for 3-[1H-indol-3-yl(thiophen-2-yl)methyl]-1H-indole is c1csc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)c1.
What is the InChIKey of 3-[1H-indol-3-yl(thiophen-2-yl)methyl]-1H-indole?
The InChIKey is XWEFWNXAUVOFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2S/c1-3-8-18-14(6-1)16(12-22-18)21(20-10-5-11-24-20)17-13-23-19-9-4-2-7-15(17)19/h1-13,21-23H.
What are the key properties of 3-[1H-indol-3-yl(thiophen-2-yl)methyl]-1H-indole?
3-[1H-indol-3-yl(thiophen-2-yl)methyl]-1H-indole has a molecular weight of 328.44 g/mol, XLogP of 5.89, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1H-indol-3-yl(thiophen-2-yl)methyl]-1H-indole is sourced from PubChem (CID 2940617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).