1-thiophen-2-yl-3-[(3-thiophen-2-yl-2H-isoindol-1-yl)methylidene]isoindole

C25H16N2S2 — CID 160615164

IUPAC1-thiophen-2-yl-3-[(3-thiophen-2-yl-2H-isoindol-1-yl)methylidene]isoindole
SMILESC(=C1N=C(c2cccs2)c2ccccc21)c1[nH]c(-c2cccs2)c2ccccc12
InChIInChI=1S/C25H16N2S2/c1-3-9-18-16(7-1)20(26-24(18)22-11-5-13-28-22)15-21-17-8-2-4-10-19(17)25(27-21)23-12-6-14-29-23/h1-15,26H
InChIKeyRFZMCWQWVIAKHW-UHFFFAOYSA-N
MW408.55 g/mol
LogP7.31
Rot. Bonds3

About 1-thiophen-2-yl-3-[(3-thiophen-2-yl-2H-isoindol-1-yl)methylidene]isoindole

1-thiophen-2-yl-3-[(3-thiophen-2-yl-2H-isoindol-1-yl)methylidene]isoindole (PubChem CID 160615164) has the molecular formula C25H16N2S2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 1-thiophen-2-yl-3-[(3-thiophen-2-yl-2H-isoindol-1-yl)methylidene]isoindole.

Molecular Properties

Compound Name1-thiophen-2-yl-3-[(3-thiophen-2-yl-2H-isoindol-1-yl)methylidene]isoindole
PubChem CID160615164
Molecular FormulaC25H16N2S2
Molecular Weight408.55 g/mol
Exact Mass408.08
IUPAC Name1-thiophen-2-yl-3-[(3-thiophen-2-yl-2H-isoindol-1-yl)methylidene]isoindole
SMILESC(=C1N=C(c2cccs2)c2ccccc21)c1[nH]c(-c2cccs2)c2ccccc12
InChIInChI=1S/C25H16N2S2/c1-3-9-18-16(7-1)20(26-24(18)22-11-5-13-28-22)15-21-17-8-2-4-10-19(17)25(27-21)23-12-6-14-29-23/h1-15,26H
InChIKeyRFZMCWQWVIAKHW-UHFFFAOYSA-N
XLogP7.31
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.55
LogP ≤ 57.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-yl-3-[(3-thiophen-2-yl-2H-isoindol-1-yl)methylidene]isoindole?
The IUPAC name of 1-thiophen-2-yl-3-[(3-thiophen-2-yl-2H-isoindol-1-yl)methylidene]isoindole (CID 160615164) is 1-thiophen-2-yl-3-[(3-thiophen-2-yl-2H-isoindol-1-yl)methylidene]isoindole.
What is the SMILES notation for 1-thiophen-2-yl-3-[(3-thiophen-2-yl-2H-isoindol-1-yl)methylidene]isoindole?
The canonical SMILES for 1-thiophen-2-yl-3-[(3-thiophen-2-yl-2H-isoindol-1-yl)methylidene]isoindole is C(=C1N=C(c2cccs2)c2ccccc21)c1[nH]c(-c2cccs2)c2ccccc12.
What is the InChIKey of 1-thiophen-2-yl-3-[(3-thiophen-2-yl-2H-isoindol-1-yl)methylidene]isoindole?
The InChIKey is RFZMCWQWVIAKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N2S2/c1-3-9-18-16(7-1)20(26-24(18)22-11-5-13-28-22)15-21-17-8-2-4-10-19(17)25(27-21)23-12-6-14-29-23/h1-15,26H.
What are the key properties of 1-thiophen-2-yl-3-[(3-thiophen-2-yl-2H-isoindol-1-yl)methylidene]isoindole?
1-thiophen-2-yl-3-[(3-thiophen-2-yl-2H-isoindol-1-yl)methylidene]isoindole has a molecular weight of 408.55 g/mol, XLogP of 7.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-yl-3-[(3-thiophen-2-yl-2H-isoindol-1-yl)methylidene]isoindole is sourced from PubChem (CID 160615164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).