4-[6-(N-phenylanilino)-1-benzofuran-2-yl]benzaldehyde

C27H19NO2 — CID 129115838

IUPAC4-[6-(N-phenylanilino)-1-benzofuran-2-yl]benzaldehyde
SMILESO=Cc1ccc(-c2cc3ccc(N(c4ccccc4)c4ccccc4)cc3o2)cc1
InChIInChI=1S/C27H19NO2/c29-19-20-11-13-21(14-12-20)26-17-22-15-16-25(18-27(22)30-26)28(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-19H
InChIKeyZDGVRFVIMDPQAG-UHFFFAOYSA-N
MW389.45 g/mol
LogP7.38
Rot. Bonds5

About 4-[6-(N-phenylanilino)-1-benzofuran-2-yl]benzaldehyde

4-[6-(N-phenylanilino)-1-benzofuran-2-yl]benzaldehyde (PubChem CID 129115838) has the molecular formula C27H19NO2 and a molecular weight of 389.45 g/mol. Its IUPAC name is 4-[6-(N-phenylanilino)-1-benzofuran-2-yl]benzaldehyde.

Molecular Properties

Compound Name4-[6-(N-phenylanilino)-1-benzofuran-2-yl]benzaldehyde
PubChem CID129115838
Molecular FormulaC27H19NO2
Molecular Weight389.45 g/mol
Exact Mass389.14
IUPAC Name4-[6-(N-phenylanilino)-1-benzofuran-2-yl]benzaldehyde
SMILESO=Cc1ccc(-c2cc3ccc(N(c4ccccc4)c4ccccc4)cc3o2)cc1
InChIInChI=1S/C27H19NO2/c29-19-20-11-13-21(14-12-20)26-17-22-15-16-25(18-27(22)30-26)28(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-19H
InChIKeyZDGVRFVIMDPQAG-UHFFFAOYSA-N
XLogP7.38
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.45
LogP ≤ 57.38
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

2-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-1-benzofuran-6-carbaldehyde
CID 147855025
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
4-(1-benzofuran-2-yl)-N,N-diphenylaniline
CID 139080403
4-[4-(1-benzofuran-2-yl)phenyl]-N-[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]-N-phenylaniline
CID 164744662
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
N,N-bis[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]naphthalen-2-amine;N,N-bis[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]-4-phenylaniline
CID 165085656
2-(4-bromophenyl)-1-benzofuran-6-carbaldehyde;methane;N-methylaniline;2-[4-(N-methylanilino)phenyl]-1-benzofuran-6-carbaldehyde
CID 159083533
3-(1-benzofuran-2-yl)-N-phenyl-N-(4-phenylphenyl)aniline
CID 170398679
3-(1-benzofuran-2-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170398602
(Z)-2-(methyliminomethyl)-3-[2-[4-[4-(N-phenylanilino)phenyl]phenyl]-1-benzofuran-6-yl]prop-2-en-1-ol
CID 153392928
4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]benzaldehyde
CID 11235423

Frequently Asked Questions

What is the IUPAC name of 4-[6-(N-phenylanilino)-1-benzofuran-2-yl]benzaldehyde?
The IUPAC name of 4-[6-(N-phenylanilino)-1-benzofuran-2-yl]benzaldehyde (CID 129115838) is 4-[6-(N-phenylanilino)-1-benzofuran-2-yl]benzaldehyde.
What is the SMILES notation for 4-[6-(N-phenylanilino)-1-benzofuran-2-yl]benzaldehyde?
The canonical SMILES for 4-[6-(N-phenylanilino)-1-benzofuran-2-yl]benzaldehyde is O=Cc1ccc(-c2cc3ccc(N(c4ccccc4)c4ccccc4)cc3o2)cc1.
What is the InChIKey of 4-[6-(N-phenylanilino)-1-benzofuran-2-yl]benzaldehyde?
The InChIKey is ZDGVRFVIMDPQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19NO2/c29-19-20-11-13-21(14-12-20)26-17-22-15-16-25(18-27(22)30-26)28(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-19H.
What are the key properties of 4-[6-(N-phenylanilino)-1-benzofuran-2-yl]benzaldehyde?
4-[6-(N-phenylanilino)-1-benzofuran-2-yl]benzaldehyde has a molecular weight of 389.45 g/mol, XLogP of 7.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(N-phenylanilino)-1-benzofuran-2-yl]benzaldehyde is sourced from PubChem (CID 129115838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).