4-[4-(N-[4-(4-aminophenyl)phenyl]-4-phenylanilino)phenyl]aniline

C36H29N3 — CID 139760283

IUPAC4-[4-(N-[4-(4-aminophenyl)phenyl]-4-phenylanilino)phenyl]aniline
SMILESNc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(N)cc4)cc3)cc2)cc1
InChIInChI=1S/C36H29N3/c37-32-16-6-27(7-17-32)30-12-22-35(23-13-30)39(34-20-10-29(11-21-34)26-4-2-1-3-5-26)36-24-14-31(15-25-36)28-8-18-33(38)19-9-28/h1-25H,37-38H2
InChIKeyMGJOAAIILWUTJU-UHFFFAOYSA-N
MW503.65 g/mol
LogP9.32
Rot. Bonds6

About 4-[4-(N-[4-(4-aminophenyl)phenyl]-4-phenylanilino)phenyl]aniline

4-[4-(N-[4-(4-aminophenyl)phenyl]-4-phenylanilino)phenyl]aniline (PubChem CID 139760283) has the molecular formula C36H29N3 and a molecular weight of 503.65 g/mol. Its IUPAC name is 4-[4-(N-[4-(4-aminophenyl)phenyl]-4-phenylanilino)phenyl]aniline.

Molecular Properties

Compound Name4-[4-(N-[4-(4-aminophenyl)phenyl]-4-phenylanilino)phenyl]aniline
PubChem CID139760283
Molecular FormulaC36H29N3
Molecular Weight503.65 g/mol
Exact Mass503.24
IUPAC Name4-[4-(N-[4-(4-aminophenyl)phenyl]-4-phenylanilino)phenyl]aniline
SMILESNc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(N)cc4)cc3)cc2)cc1
InChIInChI=1S/C36H29N3/c37-32-16-6-27(7-17-32)30-12-22-35(23-13-30)39(34-20-10-29(11-21-34)26-4-2-1-3-5-26)36-24-14-31(15-25-36)28-8-18-33(38)19-9-28/h1-25H,37-38H2
InChIKeyMGJOAAIILWUTJU-UHFFFAOYSA-N
XLogP9.32
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.65
LogP ≤ 59.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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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-aminophenyl)aniline;N,N-diphenylaniline
CID 67789837
benzene-1,4-diamine;4-N,4-N-diphenylbenzene-1,4-diamine
CID 67959062
4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]phenyl]aniline;4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 159709491
1-N,1-N,4-N-tris(4-phenylphenyl)-4-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anilino]phenyl]phenyl]benzene-1,4-diamine
CID 89266505
4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 58876469
3-(4-aminophenyl)-N,N-diphenylaniline
CID 155173574
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
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-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 58925038

Frequently Asked Questions

What is the IUPAC name of 4-[4-(N-[4-(4-aminophenyl)phenyl]-4-phenylanilino)phenyl]aniline?
The IUPAC name of 4-[4-(N-[4-(4-aminophenyl)phenyl]-4-phenylanilino)phenyl]aniline (CID 139760283) is 4-[4-(N-[4-(4-aminophenyl)phenyl]-4-phenylanilino)phenyl]aniline.
What is the SMILES notation for 4-[4-(N-[4-(4-aminophenyl)phenyl]-4-phenylanilino)phenyl]aniline?
The canonical SMILES for 4-[4-(N-[4-(4-aminophenyl)phenyl]-4-phenylanilino)phenyl]aniline is Nc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(N)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-[4-(N-[4-(4-aminophenyl)phenyl]-4-phenylanilino)phenyl]aniline?
The InChIKey is MGJOAAIILWUTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H29N3/c37-32-16-6-27(7-17-32)30-12-22-35(23-13-30)39(34-20-10-29(11-21-34)26-4-2-1-3-5-26)36-24-14-31(15-25-36)28-8-18-33(38)19-9-28/h1-25H,37-38H2.
What are the key properties of 4-[4-(N-[4-(4-aminophenyl)phenyl]-4-phenylanilino)phenyl]aniline?
4-[4-(N-[4-(4-aminophenyl)phenyl]-4-phenylanilino)phenyl]aniline has a molecular weight of 503.65 g/mol, XLogP of 9.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(N-[4-(4-aminophenyl)phenyl]-4-phenylanilino)phenyl]aniline is sourced from PubChem (CID 139760283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).