2-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-1-benzofuran-6-carbaldehyde

C31H21NO2S — CID 147855025

IUPAC2-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-1-benzofuran-6-carbaldehyde
SMILESO=Cc1ccc2cc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)oc2c1
InChIInChI=1S/C31H21NO2S/c33-21-22-11-12-24-20-29(34-28(24)19-22)31-18-17-30(35-31)23-13-15-27(16-14-23)32(25-7-3-1-4-8-25)26-9-5-2-6-10-26/h1-21H
InChIKeyHVOIZZKPFDLLOI-UHFFFAOYSA-N
MW471.58 g/mol
LogP9.11
Rot. Bonds6

About 2-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-1-benzofuran-6-carbaldehyde

2-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-1-benzofuran-6-carbaldehyde (PubChem CID 147855025) has the molecular formula C31H21NO2S and a molecular weight of 471.58 g/mol. Its IUPAC name is 2-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-1-benzofuran-6-carbaldehyde.

Molecular Properties

Compound Name2-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-1-benzofuran-6-carbaldehyde
PubChem CID147855025
Molecular FormulaC31H21NO2S
Molecular Weight471.58 g/mol
Exact Mass471.13
IUPAC Name2-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-1-benzofuran-6-carbaldehyde
SMILESO=Cc1ccc2cc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)oc2c1
InChIInChI=1S/C31H21NO2S/c33-21-22-11-12-24-20-29(34-28(24)19-22)31-18-17-30(35-31)23-13-15-27(16-14-23)32(25-7-3-1-4-8-25)26-9-5-2-6-10-26/h1-21H
InChIKeyHVOIZZKPFDLLOI-UHFFFAOYSA-N
XLogP9.11
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.58
LogP ≤ 59.11
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

4-[6-(N-phenylanilino)-1-benzofuran-2-yl]benzaldehyde
CID 129115838
2-(4-bromophenyl)-1-benzofuran-6-carbaldehyde;[4-(N-phenylanilino)phenyl]boronic acid;2-[4-[4-(N-phenylanilino)phenyl]phenyl]-1-benzofuran-6-carbaldehyde
CID 158252401
2-cyanoacetic acid;(Z)-2-cyano-3-[2-[4-[4-(N-phenylanilino)phenyl]phenyl]-1-benzofuran-6-yl]prop-2-enoic acid;2-[4-[4-(N-phenylanilino)phenyl]phenyl]-1-benzofuran-6-carbaldehyde
CID 161332351
2-isocyanoacetonitrile;2-[4-(N-phenylanilino)phenyl]-1-benzofuran-6-carbaldehyde;2-[[2-[4-(N-phenylanilino)phenyl]-1-benzofuran-6-yl]methylidene]propanedinitrile
CID 162074899
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
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
2-(4-bromophenyl)-1-benzofuran-6-carbaldehyde;methane;N-methylaniline;2-[4-(N-methylanilino)phenyl]-1-benzofuran-6-carbaldehyde
CID 159083533
4-(1-benzofuran-2-yl)-N,N-diphenylaniline
CID 139080403
(Z)-2-(methyliminomethyl)-3-[2-[4-[4-(N-phenylanilino)phenyl]phenyl]-1-benzofuran-6-yl]prop-2-en-1-ol
CID 153392928
N-naphthalen-2-yl-N-phenyl-6-[(E)-2-[6-(5-phenylthiophen-2-yl)naphthalen-2-yl]ethenyl]naphthalen-2-amine
CID 59801134
4-[4-(1-benzofuran-2-yl)phenyl]-N-[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]-N-phenylaniline
CID 164744662

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-1-benzofuran-6-carbaldehyde?
The IUPAC name of 2-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-1-benzofuran-6-carbaldehyde (CID 147855025) is 2-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-1-benzofuran-6-carbaldehyde.
What is the SMILES notation for 2-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-1-benzofuran-6-carbaldehyde?
The canonical SMILES for 2-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-1-benzofuran-6-carbaldehyde is O=Cc1ccc2cc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)oc2c1.
What is the InChIKey of 2-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-1-benzofuran-6-carbaldehyde?
The InChIKey is HVOIZZKPFDLLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21NO2S/c33-21-22-11-12-24-20-29(34-28(24)19-22)31-18-17-30(35-31)23-13-15-27(16-14-23)32(25-7-3-1-4-8-25)26-9-5-2-6-10-26/h1-21H.
What are the key properties of 2-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-1-benzofuran-6-carbaldehyde?
2-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-1-benzofuran-6-carbaldehyde has a molecular weight of 471.58 g/mol, XLogP of 9.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-1-benzofuran-6-carbaldehyde is sourced from PubChem (CID 147855025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).