4-[4-(N-[4-(2-hydroxyethoxy)phenyl]anilino)phenyl]benzaldehyde

C27H23NO3 — CID 20580224

IUPAC4-[4-(N-[4-(2-hydroxyethoxy)phenyl]anilino)phenyl]benzaldehyde
SMILESO=Cc1ccc(-c2ccc(N(c3ccccc3)c3ccc(OCCO)cc3)cc2)cc1
InChIInChI=1S/C27H23NO3/c29-18-19-31-27-16-14-26(15-17-27)28(24-4-2-1-3-5-24)25-12-10-23(11-13-25)22-8-6-21(20-30)7-9-22/h1-17,20,29H,18-19H2
InChIKeyCUOSATCZUGJOKP-UHFFFAOYSA-N
MW409.49 g/mol
LogP6.01
Rot. Bonds8

About 4-[4-(N-[4-(2-hydroxyethoxy)phenyl]anilino)phenyl]benzaldehyde

4-[4-(N-[4-(2-hydroxyethoxy)phenyl]anilino)phenyl]benzaldehyde (PubChem CID 20580224) has the molecular formula C27H23NO3 and a molecular weight of 409.49 g/mol. Its IUPAC name is 4-[4-(N-[4-(2-hydroxyethoxy)phenyl]anilino)phenyl]benzaldehyde.

Molecular Properties

Compound Name4-[4-(N-[4-(2-hydroxyethoxy)phenyl]anilino)phenyl]benzaldehyde
PubChem CID20580224
Molecular FormulaC27H23NO3
Molecular Weight409.49 g/mol
Exact Mass409.17
IUPAC Name4-[4-(N-[4-(2-hydroxyethoxy)phenyl]anilino)phenyl]benzaldehyde
SMILESO=Cc1ccc(-c2ccc(N(c3ccccc3)c3ccc(OCCO)cc3)cc2)cc1
InChIInChI=1S/C27H23NO3/c29-18-19-31-27-16-14-26(15-17-27)28(24-4-2-1-3-5-24)25-12-10-23(11-13-25)22-8-6-21(20-30)7-9-22/h1-17,20,29H,18-19H2
InChIKeyCUOSATCZUGJOKP-UHFFFAOYSA-N
XLogP6.01
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.49
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[2-[4-(2-hydroxyethoxy)phenyl]-1,2-diphenylethenyl]phenyl]benzaldehyde
CID 141459269
2-[6-[4-[4-(N-phenylanilino)phenyl]phenoxy]hexoxy]terephthalaldehyde
CID 102332220
4-[4-(8-hydroxyoctoxy)phenyl]benzaldehyde
CID 18979506
4-(4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)benzaldehyde
CID 102447385
4-(N-(4-formylphenyl)anilino)benzaldehyde;4-methoxy-N-(4-methoxyphenyl)-N-phenylaniline;propane
CID 123717319
4-[4-[4-(4-formylphenyl)-N-[4-(4-formylphenyl)phenyl]anilino]phenyl]benzaldehyde
CID 59742159
4-(N-[4-(N-(4-methoxyphenyl)anilino)phenyl]anilino)benzaldehyde
CID 22973932
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
2-[4-(N-[4-[4-(N-[4-(carboxymethoxy)phenyl]anilino)phenyl]phenyl]anilino)phenoxy]acetic acid
CID 102587627
N-(4-pentoxyphenyl)-4-[4-(N-(4-pentoxyphenyl)anilino)phenyl]-N-phenylaniline
CID 21311051
3-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenoxy]propyl acetate
CID 20605378
formic acid;2-phenoxyethanol
CID 71438669

Frequently Asked Questions

What is the IUPAC name of 4-[4-(N-[4-(2-hydroxyethoxy)phenyl]anilino)phenyl]benzaldehyde?
The IUPAC name of 4-[4-(N-[4-(2-hydroxyethoxy)phenyl]anilino)phenyl]benzaldehyde (CID 20580224) is 4-[4-(N-[4-(2-hydroxyethoxy)phenyl]anilino)phenyl]benzaldehyde.
What is the SMILES notation for 4-[4-(N-[4-(2-hydroxyethoxy)phenyl]anilino)phenyl]benzaldehyde?
The canonical SMILES for 4-[4-(N-[4-(2-hydroxyethoxy)phenyl]anilino)phenyl]benzaldehyde is O=Cc1ccc(-c2ccc(N(c3ccccc3)c3ccc(OCCO)cc3)cc2)cc1.
What is the InChIKey of 4-[4-(N-[4-(2-hydroxyethoxy)phenyl]anilino)phenyl]benzaldehyde?
The InChIKey is CUOSATCZUGJOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NO3/c29-18-19-31-27-16-14-26(15-17-27)28(24-4-2-1-3-5-24)25-12-10-23(11-13-25)22-8-6-21(20-30)7-9-22/h1-17,20,29H,18-19H2.
What are the key properties of 4-[4-(N-[4-(2-hydroxyethoxy)phenyl]anilino)phenyl]benzaldehyde?
4-[4-(N-[4-(2-hydroxyethoxy)phenyl]anilino)phenyl]benzaldehyde has a molecular weight of 409.49 g/mol, XLogP of 6.01, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(N-[4-(2-hydroxyethoxy)phenyl]anilino)phenyl]benzaldehyde is sourced from PubChem (CID 20580224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).