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

C27H19NOS2 — CID 58660303

IUPAC5-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]thiophene-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)s2)s1
InChIInChI=1S/C27H19NOS2/c29-19-24-15-16-26(30-24)27-18-17-25(31-27)20-11-13-23(14-12-20)28(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-19H
InChIKeyOGSMWVRYYHFWFJ-UHFFFAOYSA-N
MW437.59 g/mol
LogP8.43
Rot. Bonds6

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

5-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]thiophene-2-carbaldehyde (PubChem CID 58660303) has the molecular formula C27H19NOS2 and a molecular weight of 437.59 g/mol. Its IUPAC name is 5-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]thiophene-2-carbaldehyde
PubChem CID58660303
Molecular FormulaC27H19NOS2
Molecular Weight437.59 g/mol
Exact Mass437.09
IUPAC Name5-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]thiophene-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)s2)s1
InChIInChI=1S/C27H19NOS2/c29-19-24-15-16-26(30-24)27-18-17-25(31-27)20-11-13-23(14-12-20)28(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-19H
InChIKeyOGSMWVRYYHFWFJ-UHFFFAOYSA-N
XLogP8.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.59
LogP ≤ 58.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]thiophene-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]thiophene-2-carbaldehyde?
The IUPAC name of 5-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]thiophene-2-carbaldehyde (CID 58660303) is 5-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]thiophene-2-carbaldehyde.
What is the SMILES notation for 5-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]thiophene-2-carbaldehyde?
The canonical SMILES for 5-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]thiophene-2-carbaldehyde is O=Cc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)s2)s1.
What is the InChIKey of 5-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]thiophene-2-carbaldehyde?
The InChIKey is OGSMWVRYYHFWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19NOS2/c29-19-24-15-16-26(30-24)27-18-17-25(31-27)20-11-13-23(14-12-20)28(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-19H.
What are the key properties of 5-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]thiophene-2-carbaldehyde?
5-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]thiophene-2-carbaldehyde has a molecular weight of 437.59 g/mol, XLogP of 8.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]thiophene-2-carbaldehyde is sourced from PubChem (CID 58660303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).