2-(N-phenylanilino)terephthalaldehyde

C20H15NO2 — CID 175280355

IUPAC2-(N-phenylanilino)terephthalaldehyde
SMILESO=Cc1ccc(C=O)c(N(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C20H15NO2/c22-14-16-11-12-17(15-23)20(13-16)21(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-15H
InChIKeyOMRXOGQJMLKFDG-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.78
Rot. Bonds5

About 2-(N-phenylanilino)terephthalaldehyde

2-(N-phenylanilino)terephthalaldehyde (PubChem CID 175280355) has the molecular formula C20H15NO2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-(N-phenylanilino)terephthalaldehyde.

Molecular Properties

Compound Name2-(N-phenylanilino)terephthalaldehyde
PubChem CID175280355
Molecular FormulaC20H15NO2
Molecular Weight301.35 g/mol
Exact Mass301.11
IUPAC Name2-(N-phenylanilino)terephthalaldehyde
SMILESO=Cc1ccc(C=O)c(N(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C20H15NO2/c22-14-16-11-12-17(15-23)20(13-16)21(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-15H
InChIKeyOMRXOGQJMLKFDG-UHFFFAOYSA-N
XLogP4.78
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.78
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-bis[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]terephthalaldehyde
CID 44557741
2-[2-[4-(N-phenylanilino)phenyl]anilino]terephthalaldehyde
CID 87842525
2-[6-[4-[4-(N-phenylanilino)phenyl]phenoxy]hexoxy]terephthalaldehyde
CID 102332220
6,6,12,12-tetramethyl-2-(N-phenylanilino)indeno[1,2-b]fluorene-8-carbaldehyde
CID 89335581
4-(4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)benzaldehyde
CID 102447385
4-(N-[4-(N-(4-methoxyphenyl)anilino)phenyl]anilino)benzaldehyde
CID 22973932
3-(N-ethylanilino)benzaldehyde
CID 139661006
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
benzene;terephthalaldehyde
CID 163498156
4-[(E)-2-[4-[(E)-2-(4-cyanophenyl)ethenyl]-2,5-bis(N-phenylanilino)phenyl]ethenyl]benzonitrile
CID 102485481
4-[N-(5,6,7,8-tetrahydronaphthalen-2-yl)anilino]benzaldehyde
CID 19030131
1-N,3-N-bis(4-methylphenyl)-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]-1-N,3-N-bis[4-[(E)-2-phenylethenyl]phenyl]benzene-1,3-diamine
CID 121368155

Frequently Asked Questions

What is the IUPAC name of 2-(N-phenylanilino)terephthalaldehyde?
The IUPAC name of 2-(N-phenylanilino)terephthalaldehyde (CID 175280355) is 2-(N-phenylanilino)terephthalaldehyde.
What is the SMILES notation for 2-(N-phenylanilino)terephthalaldehyde?
The canonical SMILES for 2-(N-phenylanilino)terephthalaldehyde is O=Cc1ccc(C=O)c(N(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 2-(N-phenylanilino)terephthalaldehyde?
The InChIKey is OMRXOGQJMLKFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO2/c22-14-16-11-12-17(15-23)20(13-16)21(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-15H.
What are the key properties of 2-(N-phenylanilino)terephthalaldehyde?
2-(N-phenylanilino)terephthalaldehyde has a molecular weight of 301.35 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-phenylanilino)terephthalaldehyde is sourced from PubChem (CID 175280355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).