4-(4-aminophenyl)aniline;N,N-diphenylaniline

C30H27N3 — CID 67789837

IUPAC4-(4-aminophenyl)aniline;N,N-diphenylaniline
SMILESNc1ccc(-c2ccc(N)cc2)cc1.c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15N.C12H12N2/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-15H;1-8H,13-14H2
InChIKeyCBUKYZWWMSRLNK-UHFFFAOYSA-N
MW429.57 g/mol
LogP7.67
Rot. Bonds4

About 4-(4-aminophenyl)aniline;N,N-diphenylaniline

4-(4-aminophenyl)aniline;N,N-diphenylaniline (PubChem CID 67789837) has the molecular formula C30H27N3 and a molecular weight of 429.57 g/mol. Its IUPAC name is 4-(4-aminophenyl)aniline;N,N-diphenylaniline.

Molecular Properties

Compound Name4-(4-aminophenyl)aniline;N,N-diphenylaniline
PubChem CID67789837
Molecular FormulaC30H27N3
Molecular Weight429.57 g/mol
Exact Mass429.22
IUPAC Name4-(4-aminophenyl)aniline;N,N-diphenylaniline
SMILESNc1ccc(-c2ccc(N)cc2)cc1.c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15N.C12H12N2/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-15H;1-8H,13-14H2
InChIKeyCBUKYZWWMSRLNK-UHFFFAOYSA-N
XLogP7.67
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.57
LogP ≤ 57.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(4-aminophenyl)aniline;N,N-diphenylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-phenyl-4-N-[4-[4-(N-phenylanilino)phenyl]phenyl]benzene-1,4-diamine
CID 18421146
4-[4-(N-[4-[4-(N-[4-(4-aminophenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
CID 22944349
4-[4-(N-[4-(4-aminophenyl)phenyl]-4-phenylanilino)phenyl]aniline
CID 139760283
benzene-1,4-diamine;4-N,4-N-diphenylbenzene-1,4-diamine
CID 67959062
3-(4-aminophenyl)-N,N-diphenylaniline
CID 155173574
1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]benzene-1,4-diamine
CID 162077719
N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,N-diphenyl-4-[4-[4-(N-[4-[4-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 158321968
N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]aniline
CID 19708505
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-[4-[4-(N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 59510908
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 160679121
N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,4-diphenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 159598544
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 158445844

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)aniline;N,N-diphenylaniline?
The IUPAC name of 4-(4-aminophenyl)aniline;N,N-diphenylaniline (CID 67789837) is 4-(4-aminophenyl)aniline;N,N-diphenylaniline.
What is the SMILES notation for 4-(4-aminophenyl)aniline;N,N-diphenylaniline?
The canonical SMILES for 4-(4-aminophenyl)aniline;N,N-diphenylaniline is Nc1ccc(-c2ccc(N)cc2)cc1.c1ccc(N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-(4-aminophenyl)aniline;N,N-diphenylaniline?
The InChIKey is CBUKYZWWMSRLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N.C12H12N2/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-15H;1-8H,13-14H2.
What are the key properties of 4-(4-aminophenyl)aniline;N,N-diphenylaniline?
4-(4-aminophenyl)aniline;N,N-diphenylaniline has a molecular weight of 429.57 g/mol, XLogP of 7.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)aniline;N,N-diphenylaniline is sourced from PubChem (CID 67789837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).