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

C48H38N4 — CID 22944349

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

4-[4-(N-[4-[4-(N-[4-(4-aminophenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline (PubChem CID 22944349) has the molecular formula C48H38N4 and a molecular weight of 670.86 g/mol. Its IUPAC name is 4-[4-(N-[4-[4-(N-[4-(4-aminophenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline.

Molecular Properties

• Compound Name: 4-[4-(N-[4-[4-(N-[4-(4-aminophenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
• PubChem CID: 22944349
• Molecular Formula: C48H38N4
• Molecular Weight: 670.86 g/mol
• Exact Mass: 670.31
• IUPAC Name: 4-[4-(N-[4-[4-(N-[4-(4-aminophenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
• SMILES: Nc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccc(N)cc6)cc5)cc4)cc3)cc2)cc1
• InChI: InChI=1S/C48H38N4/c49-41-23-11-35(12-24-41)37-15-27-45(28-16-37)51(43-7-3-1-4-8-43)47-31-19-39(20-32-47)40-21-33-48(34-22-40)52(44-9-5-2-6-10-44)46-29-17-38(18-30-46)36-13-25-42(50)26-14-36/h1-34H,49-50H2
• InChIKey: BHIHLWXLBYGHMS-UHFFFAOYSA-N
• XLogP: 12.79
• TPSA: 58.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	670.86
LogP ≤ 5	12.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[4-(N-[4-[4-(N-[4-(4-aminophenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline?

The IUPAC name of 4-[4-(N-[4-[4-(N-[4-(4-aminophenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline (CID 22944349) is 4-[4-(N-[4-[4-(N-[4-(4-aminophenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline.

What is the SMILES notation for 4-[4-(N-[4-[4-(N-[4-(4-aminophenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline?

The canonical SMILES for 4-[4-(N-[4-[4-(N-[4-(4-aminophenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline is Nc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccc(N)cc6)cc5)cc4)cc3)cc2)cc1.

What is the InChIKey of 4-[4-(N-[4-[4-(N-[4-(4-aminophenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline?

The InChIKey is BHIHLWXLBYGHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H38N4/c49-41-23-11-35(12-24-41)37-15-27-45(28-16-37)51(43-7-3-1-4-8-43)47-31-19-39(20-32-47)40-21-33-48(34-22-40)52(44-9-5-2-6-10-44)46-29-17-38(18-30-46)36-13-25-42(50)26-14-36/h1-34H,49-50H2.

What are the key properties of 4-[4-(N-[4-[4-(N-[4-(4-aminophenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline?

4-[4-(N-[4-[4-(N-[4-(4-aminophenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline has a molecular weight of 670.86 g/mol, XLogP of 12.79, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(N-[4-[4-(N-[4-(4-aminophenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline is sourced from PubChem (CID 22944349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).