5-[5-(4-anilinophenyl)thiophen-2-yl]thiophene-2-carbaldehyde

C21H15NOS2 — CID 123864431

IUPAC5-[5-(4-anilinophenyl)thiophen-2-yl]thiophene-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(-c3ccc(Nc4ccccc4)cc3)s2)s1
InChIInChI=1S/C21H15NOS2/c23-14-18-10-11-20(24-18)21-13-12-19(25-21)15-6-8-17(9-7-15)22-16-4-2-1-3-5-16/h1-14,22H
InChIKeyLOAZSOVHVNVCIW-UHFFFAOYSA-N
MW361.49 g/mol
LogP6.70
Rot. Bonds5

About 5-[5-(4-anilinophenyl)thiophen-2-yl]thiophene-2-carbaldehyde

5-[5-(4-anilinophenyl)thiophen-2-yl]thiophene-2-carbaldehyde (PubChem CID 123864431) has the molecular formula C21H15NOS2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 5-[5-(4-anilinophenyl)thiophen-2-yl]thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-[5-(4-anilinophenyl)thiophen-2-yl]thiophene-2-carbaldehyde
PubChem CID123864431
Molecular FormulaC21H15NOS2
Molecular Weight361.49 g/mol
Exact Mass361.06
IUPAC Name5-[5-(4-anilinophenyl)thiophen-2-yl]thiophene-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(-c3ccc(Nc4ccccc4)cc3)s2)s1
InChIInChI=1S/C21H15NOS2/c23-14-18-10-11-20(24-18)21-13-12-19(25-21)15-6-8-17(9-7-15)22-16-4-2-1-3-5-16/h1-14,22H
InChIKeyLOAZSOVHVNVCIW-UHFFFAOYSA-N
XLogP6.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.49
LogP ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(5-formylthiophen-2-yl)benzamide
CID 87324146
5-(4-carbazol-9-ylphenyl)thiophene-2-carbaldehyde
CID 102137747
5-[4-(N-(4-thiophen-2-ylphenyl)anilino)phenyl]thiophene-2-carbaldehyde
CID 72702102
5-(3-fluorophenyl)thiophene-2-carbaldehyde
CID 3578053
azane;N-phenylaniline
CID 67074378
5-[4-[(2-methylpropan-2-yl)oxy]phenyl]thiophene-2-carbaldehyde
CID 82484736
5-(3,4-difluorophenyl)thiophene-2-carbaldehyde
CID 43153943
5-thiophen-3-ylthiophene-2-carbaldehyde
CID 4674816
5-[4-[2-[2-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]thiophene-2-carbaldehyde
CID 141409113
5-[2,4,5-tris(5-formylthiophen-2-yl)phenyl]thiophene-2-carbaldehyde
CID 170901047
5-[4-(5-formylthiophen-2-yl)-2,5-dioxo-1-phenylpyrrol-3-yl]thiophene-2-carbaldehyde
CID 102465887
5-(3,4,5-trifluorophenyl)thiophene-2-carbaldehyde
CID 62812029

Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-anilinophenyl)thiophen-2-yl]thiophene-2-carbaldehyde?
The IUPAC name of 5-[5-(4-anilinophenyl)thiophen-2-yl]thiophene-2-carbaldehyde (CID 123864431) is 5-[5-(4-anilinophenyl)thiophen-2-yl]thiophene-2-carbaldehyde.
What is the SMILES notation for 5-[5-(4-anilinophenyl)thiophen-2-yl]thiophene-2-carbaldehyde?
The canonical SMILES for 5-[5-(4-anilinophenyl)thiophen-2-yl]thiophene-2-carbaldehyde is O=Cc1ccc(-c2ccc(-c3ccc(Nc4ccccc4)cc3)s2)s1.
What is the InChIKey of 5-[5-(4-anilinophenyl)thiophen-2-yl]thiophene-2-carbaldehyde?
The InChIKey is LOAZSOVHVNVCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NOS2/c23-14-18-10-11-20(24-18)21-13-12-19(25-21)15-6-8-17(9-7-15)22-16-4-2-1-3-5-16/h1-14,22H.
What are the key properties of 5-[5-(4-anilinophenyl)thiophen-2-yl]thiophene-2-carbaldehyde?
5-[5-(4-anilinophenyl)thiophen-2-yl]thiophene-2-carbaldehyde has a molecular weight of 361.49 g/mol, XLogP of 6.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4-anilinophenyl)thiophen-2-yl]thiophene-2-carbaldehyde is sourced from PubChem (CID 123864431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).