5-[4-(N-(4-thiophen-2-ylphenyl)anilino)phenyl]thiophene-2-carbaldehyde

C27H19NOS2 — CID 72702102

IUPAC5-[4-(N-(4-thiophen-2-ylphenyl)anilino)phenyl]thiophene-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cccs4)cc3)cc2)s1
InChIInChI=1S/C27H19NOS2/c29-19-25-16-17-27(31-25)21-10-14-24(15-11-21)28(22-5-2-1-3-6-22)23-12-8-20(9-13-23)26-7-4-18-30-26/h1-19H
InChIKeyHKBKPTXFOQVMOY-UHFFFAOYSA-N
MW437.59 g/mol
LogP8.43
Rot. Bonds6

About 5-[4-(N-(4-thiophen-2-ylphenyl)anilino)phenyl]thiophene-2-carbaldehyde

5-[4-(N-(4-thiophen-2-ylphenyl)anilino)phenyl]thiophene-2-carbaldehyde (PubChem CID 72702102) has the molecular formula C27H19NOS2 and a molecular weight of 437.59 g/mol. Its IUPAC name is 5-[4-(N-(4-thiophen-2-ylphenyl)anilino)phenyl]thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-[4-(N-(4-thiophen-2-ylphenyl)anilino)phenyl]thiophene-2-carbaldehyde
PubChem CID72702102
Molecular FormulaC27H19NOS2
Molecular Weight437.59 g/mol
Exact Mass437.09
IUPAC Name5-[4-(N-(4-thiophen-2-ylphenyl)anilino)phenyl]thiophene-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cccs4)cc3)cc2)s1
InChIInChI=1S/C27H19NOS2/c29-19-25-16-17-27(31-25)21-10-14-24(15-11-21)28(22-5-2-1-3-6-22)23-12-8-20(9-13-23)26-7-4-18-30-26/h1-19H
InChIKeyHKBKPTXFOQVMOY-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'}

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Related Compounds

5-[4-[2-[2-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]thiophene-2-carbaldehyde
CID 141409113
1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-(N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]benzene-1,4-diamine
CID 164820260
5-[7-[4-(N-phenylanilino)phenyl]-2,1,3-benzothiadiazol-4-yl]thiophene-2-carbaldehyde
CID 102398558
phenyl-[4-(4-thiophen-2-yl-N-(4-thiophen-2-ylphenyl)anilino)phenyl]methanone
CID 102408721
5-(2-ethyl-4-thiophen-2-ylphenyl)thiophene-2-carbaldehyde
CID 141257882
1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-[4-(N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-[4-[4-(5-phenylthiophen-2-yl)-N-[4-(5-phenylthiophen-2-yl)phenyl]anilino]phenyl]phenyl]benzene-1,4-diamine
CID 159275595
N-phenyl-N-[4-(5-phenylthiophen-2-yl)phenyl]-4-[4-(N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]aniline
CID 59650430
5-(2,6-diethyl-4-thiophen-2-ylphenyl)thiophene-2-carbaldehyde
CID 141257761
4-N-(4-aminophenyl)-4-N-[4-(5-thiophen-2-ylthiophen-2-yl)phenyl]benzene-1,4-diamine
CID 102055550
1-N,1-N,3-N,3-N-tetraphenyl-5-thiophen-2-ylbenzene-1,3-diamine
CID 23074711
5-[9-hexyl-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]thiophene-2-carbaldehyde
CID 102491581
N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]-6-thiophen-2-yl-1,3,5-triazin-2-yl]aniline
CID 102341987

Frequently Asked Questions

What is the IUPAC name of 5-[4-(N-(4-thiophen-2-ylphenyl)anilino)phenyl]thiophene-2-carbaldehyde?
The IUPAC name of 5-[4-(N-(4-thiophen-2-ylphenyl)anilino)phenyl]thiophene-2-carbaldehyde (CID 72702102) is 5-[4-(N-(4-thiophen-2-ylphenyl)anilino)phenyl]thiophene-2-carbaldehyde.
What is the SMILES notation for 5-[4-(N-(4-thiophen-2-ylphenyl)anilino)phenyl]thiophene-2-carbaldehyde?
The canonical SMILES for 5-[4-(N-(4-thiophen-2-ylphenyl)anilino)phenyl]thiophene-2-carbaldehyde is O=Cc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cccs4)cc3)cc2)s1.
What is the InChIKey of 5-[4-(N-(4-thiophen-2-ylphenyl)anilino)phenyl]thiophene-2-carbaldehyde?
The InChIKey is HKBKPTXFOQVMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19NOS2/c29-19-25-16-17-27(31-25)21-10-14-24(15-11-21)28(22-5-2-1-3-6-22)23-12-8-20(9-13-23)26-7-4-18-30-26/h1-19H.
What are the key properties of 5-[4-(N-(4-thiophen-2-ylphenyl)anilino)phenyl]thiophene-2-carbaldehyde?
5-[4-(N-(4-thiophen-2-ylphenyl)anilino)phenyl]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-[4-(N-(4-thiophen-2-ylphenyl)anilino)phenyl]thiophene-2-carbaldehyde is sourced from PubChem (CID 72702102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).