2-[2-[4-(N-phenylanilino)phenyl]anilino]terephthalaldehyde

C32H24N2O2 — CID 87842525

IUPAC2-[2-[4-(N-phenylanilino)phenyl]anilino]terephthalaldehyde
SMILESO=Cc1ccc(C=O)c(Nc2ccccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc2)c1
InChIInChI=1S/C32H24N2O2/c35-22-24-15-16-26(23-36)32(21-24)33-31-14-8-7-13-30(31)25-17-19-29(20-18-25)34(27-9-3-1-4-10-27)28-11-5-2-6-12-28/h1-23,33H
InChIKeyKHEKUCZHOSCESX-UHFFFAOYSA-N
MW468.56 g/mol
LogP8.19
Rot. Bonds8

About 2-[2-[4-(N-phenylanilino)phenyl]anilino]terephthalaldehyde

2-[2-[4-(N-phenylanilino)phenyl]anilino]terephthalaldehyde (PubChem CID 87842525) has the molecular formula C32H24N2O2 and a molecular weight of 468.56 g/mol. Its IUPAC name is 2-[2-[4-(N-phenylanilino)phenyl]anilino]terephthalaldehyde.

Molecular Properties

Compound Name2-[2-[4-(N-phenylanilino)phenyl]anilino]terephthalaldehyde
PubChem CID87842525
Molecular FormulaC32H24N2O2
Molecular Weight468.56 g/mol
Exact Mass468.18
IUPAC Name2-[2-[4-(N-phenylanilino)phenyl]anilino]terephthalaldehyde
SMILESO=Cc1ccc(C=O)c(Nc2ccccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc2)c1
InChIInChI=1S/C32H24N2O2/c35-22-24-15-16-26(23-36)32(21-24)33-31-14-8-7-13-30(31)25-17-19-29(20-18-25)34(27-9-3-1-4-10-27)28-11-5-2-6-12-28/h1-23,33H
InChIKeyKHEKUCZHOSCESX-UHFFFAOYSA-N
XLogP8.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.56
LogP ≤ 58.19
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

N-phenyl-2-[4-(N-phenylanilino)phenyl]aniline
CID 22497353
1-N,3-N,5-N-tris[2-[4-(N-phenylanilino)phenyl]phenyl]benzene-1,3,5-triamine
CID 22034592
2-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline
CID 129300972
2-(N-phenylanilino)terephthalaldehyde
CID 175280355
4-(4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)benzaldehyde
CID 102447385
2,5-bis[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]terephthalaldehyde
CID 44557741
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-[6-[4-[4-(N-phenylanilino)phenyl]phenoxy]hexoxy]terephthalaldehyde
CID 102332220
N-[2-[4-(N-phenylanilino)phenyl]phenyl]quinoxalin-2-amine
CID 174522188
4-[4-[4-(4-formylphenyl)-N-[4-(4-formylphenyl)phenyl]anilino]phenyl]benzaldehyde
CID 59742159
5-N-[2-(4-tert-butylphenyl)phenyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3,5-triamine
CID 164833179
4-[4,5-diphenyl-2-[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline
CID 58943769

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(N-phenylanilino)phenyl]anilino]terephthalaldehyde?
The IUPAC name of 2-[2-[4-(N-phenylanilino)phenyl]anilino]terephthalaldehyde (CID 87842525) is 2-[2-[4-(N-phenylanilino)phenyl]anilino]terephthalaldehyde.
What is the SMILES notation for 2-[2-[4-(N-phenylanilino)phenyl]anilino]terephthalaldehyde?
The canonical SMILES for 2-[2-[4-(N-phenylanilino)phenyl]anilino]terephthalaldehyde is O=Cc1ccc(C=O)c(Nc2ccccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc2)c1.
What is the InChIKey of 2-[2-[4-(N-phenylanilino)phenyl]anilino]terephthalaldehyde?
The InChIKey is KHEKUCZHOSCESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24N2O2/c35-22-24-15-16-26(23-36)32(21-24)33-31-14-8-7-13-30(31)25-17-19-29(20-18-25)34(27-9-3-1-4-10-27)28-11-5-2-6-12-28/h1-23,33H.
What are the key properties of 2-[2-[4-(N-phenylanilino)phenyl]anilino]terephthalaldehyde?
2-[2-[4-(N-phenylanilino)phenyl]anilino]terephthalaldehyde has a molecular weight of 468.56 g/mol, XLogP of 8.19, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(N-phenylanilino)phenyl]anilino]terephthalaldehyde is sourced from PubChem (CID 87842525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).