5-[4-(2-ethylhexyl)thieno[3,2-b]indol-2-yl]thiophene-2-carbaldehyde

C23H25NOS2 — CID 138454587

IUPAC5-[4-(2-ethylhexyl)thieno[3,2-b]indol-2-yl]thiophene-2-carbaldehyde
SMILESCCCCC(CC)Cn1c2ccccc2c2sc(-c3ccc(C=O)s3)cc21
InChIInChI=1S/C23H25NOS2/c1-3-5-8-16(4-2)14-24-19-10-7-6-9-18(19)23-20(24)13-22(27-23)21-12-11-17(15-25)26-21/h6-7,9-13,15-16H,3-5,8,14H2,1-2H3
InChIKeyAWGQFTRNMDSWLM-UHFFFAOYSA-N
MW395.59 g/mol
LogP7.61
Rot. Bonds8

About 5-[4-(2-ethylhexyl)thieno[3,2-b]indol-2-yl]thiophene-2-carbaldehyde

5-[4-(2-ethylhexyl)thieno[3,2-b]indol-2-yl]thiophene-2-carbaldehyde (PubChem CID 138454587) has the molecular formula C23H25NOS2 and a molecular weight of 395.59 g/mol. Its IUPAC name is 5-[4-(2-ethylhexyl)thieno[3,2-b]indol-2-yl]thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-[4-(2-ethylhexyl)thieno[3,2-b]indol-2-yl]thiophene-2-carbaldehyde
PubChem CID138454587
Molecular FormulaC23H25NOS2
Molecular Weight395.59 g/mol
Exact Mass395.14
IUPAC Name5-[4-(2-ethylhexyl)thieno[3,2-b]indol-2-yl]thiophene-2-carbaldehyde
SMILESCCCCC(CC)Cn1c2ccccc2c2sc(-c3ccc(C=O)s3)cc21
InChIInChI=1S/C23H25NOS2/c1-3-5-8-16(4-2)14-24-19-10-7-6-9-18(19)23-20(24)13-22(27-23)21-12-11-17(15-25)26-21/h6-7,9-13,15-16H,3-5,8,14H2,1-2H3
InChIKeyAWGQFTRNMDSWLM-UHFFFAOYSA-N
XLogP7.61
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.59
LogP ≤ 57.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-ethylhexyl)thieno[3,2-b]indol-2-yl]thiophene-2-carbaldehyde?
The IUPAC name of 5-[4-(2-ethylhexyl)thieno[3,2-b]indol-2-yl]thiophene-2-carbaldehyde (CID 138454587) is 5-[4-(2-ethylhexyl)thieno[3,2-b]indol-2-yl]thiophene-2-carbaldehyde.
What is the SMILES notation for 5-[4-(2-ethylhexyl)thieno[3,2-b]indol-2-yl]thiophene-2-carbaldehyde?
The canonical SMILES for 5-[4-(2-ethylhexyl)thieno[3,2-b]indol-2-yl]thiophene-2-carbaldehyde is CCCCC(CC)Cn1c2ccccc2c2sc(-c3ccc(C=O)s3)cc21.
What is the InChIKey of 5-[4-(2-ethylhexyl)thieno[3,2-b]indol-2-yl]thiophene-2-carbaldehyde?
The InChIKey is AWGQFTRNMDSWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NOS2/c1-3-5-8-16(4-2)14-24-19-10-7-6-9-18(19)23-20(24)13-22(27-23)21-12-11-17(15-25)26-21/h6-7,9-13,15-16H,3-5,8,14H2,1-2H3.
What are the key properties of 5-[4-(2-ethylhexyl)thieno[3,2-b]indol-2-yl]thiophene-2-carbaldehyde?
5-[4-(2-ethylhexyl)thieno[3,2-b]indol-2-yl]thiophene-2-carbaldehyde has a molecular weight of 395.59 g/mol, XLogP of 7.61, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-ethylhexyl)thieno[3,2-b]indol-2-yl]thiophene-2-carbaldehyde is sourced from PubChem (CID 138454587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).