4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]benzaldehyde

C27H19N3O2 — CID 11235423

IUPAC4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]benzaldehyde
SMILESO=Cc1ccc(-c2nnc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)o2)cc1
InChIInChI=1S/C27H19N3O2/c31-19-20-11-13-21(14-12-20)26-28-29-27(32-26)22-15-17-25(18-16-22)30(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-19H
InChIKeyOYPCWXYETXLRRU-UHFFFAOYSA-N
MW417.47 g/mol
LogP6.69
Rot. Bonds6

About 4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]benzaldehyde

4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]benzaldehyde (PubChem CID 11235423) has the molecular formula C27H19N3O2 and a molecular weight of 417.47 g/mol. Its IUPAC name is 4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]benzaldehyde.

Molecular Properties

Compound Name4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]benzaldehyde
PubChem CID11235423
Molecular FormulaC27H19N3O2
Molecular Weight417.47 g/mol
Exact Mass417.15
IUPAC Name4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]benzaldehyde
SMILESO=Cc1ccc(-c2nnc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)o2)cc1
InChIInChI=1S/C27H19N3O2/c31-19-20-11-13-21(14-12-20)26-28-29-27(32-26)22-15-17-25(18-16-22)30(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-19H
InChIKeyOYPCWXYETXLRRU-UHFFFAOYSA-N
XLogP6.69
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.47
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]aniline
CID 19808215
4-(4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)benzaldehyde
CID 102447385
1-N,1-N,2-N-triphenyl-2-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzene-1,2-diamine
CID 58903757
N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;4-ethenyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)benzaldehyde
CID 160992950
4-[4-[4-(4-formylphenyl)-N-[4-(4-formylphenyl)phenyl]anilino]phenyl]benzaldehyde
CID 59742159
4-(N-[4-[(E)-2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethenyl]phenyl]anilino)benzoic acid
CID 101098774
4-phenyl-N-[4-[2-[2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 59228387
N,N-diphenyl-4-[2-[5-[2-[4-(N-phenylanilino)phenyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]aniline
CID 102034905
1-N,5-N,5-N-triphenyl-1-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]naphthalene-1,5-diamine
CID 58903547
4-[5-(3,5-dinitrophenyl)-1,3,4-oxadiazol-2-yl]-N,N-diphenylaniline
CID 102044178
4-[6-(N-phenylanilino)-1-benzofuran-2-yl]benzaldehyde
CID 129115838
N,N-diphenyl-4-[2-[2-[4-[5-(3-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]phenyl]aniline
CID 59228303

Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]benzaldehyde?
The IUPAC name of 4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]benzaldehyde (CID 11235423) is 4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]benzaldehyde.
What is the SMILES notation for 4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]benzaldehyde?
The canonical SMILES for 4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]benzaldehyde is O=Cc1ccc(-c2nnc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)o2)cc1.
What is the InChIKey of 4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]benzaldehyde?
The InChIKey is OYPCWXYETXLRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N3O2/c31-19-20-11-13-21(14-12-20)26-28-29-27(32-26)22-15-17-25(18-16-22)30(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-19H.
What are the key properties of 4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]benzaldehyde?
4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]benzaldehyde has a molecular weight of 417.47 g/mol, XLogP of 6.69, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]benzaldehyde is sourced from PubChem (CID 11235423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).