3-(4-aminophenyl)-N,N-diphenylaniline

C24H20N2 — CID 155173574

IUPAC3-(4-aminophenyl)-N,N-diphenylaniline
SMILESNc1ccc(-c2cccc(N(c3ccccc3)c3ccccc3)c2)cc1
InChIInChI=1S/C24H20N2/c25-21-16-14-19(15-17-21)20-8-7-13-24(18-20)26(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-18H,25H2
InChIKeyFQMAPFJXBTVTDV-UHFFFAOYSA-N
MW336.44 g/mol
LogP6.41
Rot. Bonds4

About 3-(4-aminophenyl)-N,N-diphenylaniline

3-(4-aminophenyl)-N,N-diphenylaniline (PubChem CID 155173574) has the molecular formula C24H20N2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N,N-diphenylaniline.

Molecular Properties

Compound Name3-(4-aminophenyl)-N,N-diphenylaniline
PubChem CID155173574
Molecular FormulaC24H20N2
Molecular Weight336.44 g/mol
Exact Mass336.16
IUPAC Name3-(4-aminophenyl)-N,N-diphenylaniline
SMILESNc1ccc(-c2cccc(N(c3ccccc3)c3ccccc3)c2)cc1
InChIInChI=1S/C24H20N2/c25-21-16-14-19(15-17-21)20-8-7-13-24(18-20)26(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-18H,25H2
InChIKeyFQMAPFJXBTVTDV-UHFFFAOYSA-N
XLogP6.41
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.44
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-diphenyl-3-[4-[3-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline;N,N-diphenyl-3-[4-[3-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]aniline;N-phenyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[3-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;N-phenyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline
CID 159305688
N,3-diphenyl-N-[4-[4-(N-[4-[4-(N-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 22013506
N,3-diphenyl-N-[4-[4-(3-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 59090384
4-(4-aminophenyl)aniline;N,N-diphenylaniline
CID 67789837
3-phenyl-N-[3-[3-(N-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)aniline
CID 126731391
3-[4-(N-phenylanilino)phenyl]-N-[4-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 126502501
N,N-diphenyl-3-[3-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline
CID 118689272
4-[4-(N-[4-[4-(N-[4-(4-aminophenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
CID 22944349
4-N-phenyl-4-N-[4-[4-(N-phenylanilino)phenyl]phenyl]benzene-1,4-diamine
CID 18421146
4-[4-(N-[4-(4-aminophenyl)phenyl]-4-phenylanilino)phenyl]aniline
CID 139760283
N-phenyl-3-(3-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]aniline
CID 166591076
N,N-diphenyl-3-[3-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-3-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;ethane
CID 159114076

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N,N-diphenylaniline?
The IUPAC name of 3-(4-aminophenyl)-N,N-diphenylaniline (CID 155173574) is 3-(4-aminophenyl)-N,N-diphenylaniline.
What is the SMILES notation for 3-(4-aminophenyl)-N,N-diphenylaniline?
The canonical SMILES for 3-(4-aminophenyl)-N,N-diphenylaniline is Nc1ccc(-c2cccc(N(c3ccccc3)c3ccccc3)c2)cc1.
What is the InChIKey of 3-(4-aminophenyl)-N,N-diphenylaniline?
The InChIKey is FQMAPFJXBTVTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2/c25-21-16-14-19(15-17-21)20-8-7-13-24(18-20)26(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-18H,25H2.
What are the key properties of 3-(4-aminophenyl)-N,N-diphenylaniline?
3-(4-aminophenyl)-N,N-diphenylaniline has a molecular weight of 336.44 g/mol, XLogP of 6.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-N,N-diphenylaniline is sourced from PubChem (CID 155173574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).