5-[4-(N-phenylanilino)phenyl]thiophene-2-carbaldehyde

C23H17NOS — CID 18458010

IUPAC5-[4-(N-phenylanilino)phenyl]thiophene-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)s1
InChIInChI=1S/C23H17NOS/c25-17-22-15-16-23(26-22)18-11-13-21(14-12-18)24(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-17H
InChIKeyDLTDKNZISWUVBJ-UHFFFAOYSA-N
MW355.46 g/mol
LogP6.70
Rot. Bonds5

About 5-[4-(N-phenylanilino)phenyl]thiophene-2-carbaldehyde

5-[4-(N-phenylanilino)phenyl]thiophene-2-carbaldehyde (PubChem CID 18458010) has the molecular formula C23H17NOS and a molecular weight of 355.46 g/mol. Its IUPAC name is 5-[4-(N-phenylanilino)phenyl]thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-[4-(N-phenylanilino)phenyl]thiophene-2-carbaldehyde
PubChem CID18458010
Molecular FormulaC23H17NOS
Molecular Weight355.46 g/mol
Exact Mass355.10
IUPAC Name5-[4-(N-phenylanilino)phenyl]thiophene-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)s1
InChIInChI=1S/C23H17NOS/c25-17-22-15-16-23(26-22)18-11-13-21(14-12-18)24(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-17H
InChIKeyDLTDKNZISWUVBJ-UHFFFAOYSA-N
XLogP6.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.46
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,5-diphenylthiophene-2-carboxamide
CID 3746437
4-(2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl)thiophene-2-carbaldehyde
CID 44354661
5-(2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl)thiophene-2-carbaldehyde
CID 44355082
N-methyl-N,5-bis(3-methylphenyl)thiophene-2-carboxamide
CID 118716517
N-methyl-N-(3-methylphenyl)-5-(4-methylphenyl)thiophene-2-carboxamide
CID 118716518
N-methyl-N-(2-methylphenyl)-5-(3-methylphenyl)thiophene-2-carboxamide
CID 118716520
N-methyl-N-(2-methylphenyl)-5-(4-methylphenyl)thiophene-2-carboxamide
CID 118716521
N-methyl-5-(3-methylphenyl)-N-(4-methylphenyl)thiophene-2-carboxamide
CID 118716523
N-methyl-N,5-bis(4-methylphenyl)thiophene-2-carboxamide
CID 118716524
N-(4-ethylphenyl)-5-phenylthiophene-2-carboxamide
CID 16012278
5'-(4-(Diphenylamino)phenyl)-[2,2'-bithiophene]-5-carbaldehyde
CID 58660303
N-(4-methylphenyl)-5-phenylthiophene-2-carboxamide
CID 16012300

Frequently Asked Questions

What is the IUPAC name of 5-[4-(N-phenylanilino)phenyl]thiophene-2-carbaldehyde?
The IUPAC name of 5-[4-(N-phenylanilino)phenyl]thiophene-2-carbaldehyde (CID 18458010) is 5-[4-(N-phenylanilino)phenyl]thiophene-2-carbaldehyde.
What is the SMILES notation for 5-[4-(N-phenylanilino)phenyl]thiophene-2-carbaldehyde?
The canonical SMILES for 5-[4-(N-phenylanilino)phenyl]thiophene-2-carbaldehyde is O=Cc1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)s1.
What is the InChIKey of 5-[4-(N-phenylanilino)phenyl]thiophene-2-carbaldehyde?
The InChIKey is DLTDKNZISWUVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NOS/c25-17-22-15-16-23(26-22)18-11-13-21(14-12-18)24(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-17H.
What are the key properties of 5-[4-(N-phenylanilino)phenyl]thiophene-2-carbaldehyde?
5-[4-(N-phenylanilino)phenyl]thiophene-2-carbaldehyde has a molecular weight of 355.46 g/mol, XLogP of 6.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(N-phenylanilino)phenyl]thiophene-2-carbaldehyde is sourced from PubChem (CID 18458010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).