Tris(4-iodophenyl)amine

CAS 4181-20-8  ·  C18H12I3N  ·  MW 623.0 g/mol

Full record: Tris(4-iodophenyl)amine — Safety Data Sheet →

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3D model Tris(4-iodophenyl)amine, CAS 4181-20-8, molecular formula C18H12I3N, molar mass 623.0 g/mol

Model views

  • Tris(4-iodophenyl)amine (CAS 4181-20-8) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • Tris(4-iodophenyl)amine (CAS 4181-20-8) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • space-filling 3D model – rotation animation
  • Tris(4-iodophenyl)amine (CAS 4181-20-8) – 2D structure, MolGod Viewer
    2D structure

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About Tris(4-iodophenyl)amine

Tris(4-iodophenyl)amine is a chemical compound registered under number CAS 4181-20-8, with the molecular formula C18H12I3N, and a molar mass of 623.0 g/mol.

The molecule contains 34 atoms connected by 36 chemical bonds. The full systematic IUPAC name of this compound is 4-iodo-N,N-bis(4-iodophenyl)aniline. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, the partition coefficient logP = 7.1 (positive value, a lipophilic compound), polar surface area PSA = 3.2 Ų, 0 donors and 1 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The interactive 3D model and the viewer images are protected by copyright (© MolGod.org) — terms of use: molgod.org/copyright/.

Physicochemical properties
Molecular formulaC18H12I3N
Molar mass623.0 g/mol
IUPAC4-iodo-N,N-bis(4-iodophenyl)aniline
SMILESC1=CC(=CC=C1N(C2=CC=C(C=C2)I)C3=CC=C(C=C3)I)I
InChIKeyAQGZDWJFOYXGAA-UHFFFAOYSA-N
logP (XLogP3)7.1
PSA3.2 Ų
HBD / HBA0 / 1
PubChem CIDCID 9809282 ↗
GHS safety

Signal word: Warning

GHS07
GHS07

H315 — Causes skin irritation

H319 — Causes serious eye irritation

H335 — May cause respiratory irritation

Scientific literature

Brak articles naukowych dla CAS 4181-20-8 w PubMed / OpenAlex / Semantic Scholar.

Synonyms
Tris(4-iodophenyl)amine · 4181-20-8 · RefChem:386664 · DTXCID50381811 · 631-013-5 · Tris-(4-Iodophenyl)Amine · 4-iodo-N,N-bis(4-iodophenyl)aniline · MFCD01321198 · C18H12I3N · SCHEMBL985323 · AKOS015853669 · CS-W018335 · SB66586 · DS-16795 · T1724
Data sources
Related molecules
📜 License & provenanceMolGod_License_1
COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.
Model
Tris(4-iodophenyl)amine · 4181-20-8
InChIKey
AQGZDWJFOYXGAA-UHFFFAOYSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — Tris(4-iodophenyl)amine (CAS 4181-20-8)
License & provenance record
Tris(4-iodophenyl)amine (CAS 4181-20-8) →
MolGod molecule record
Tris(4-iodophenyl)amine →
Source data
PubChem CID 9809282 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
6296915c1aa02b89acf933b5fc61b20d7d1397d413713f6dd39a744f9d69944a
MD5 (STL)
181c4d89535484e438477aedc5c4928a
MolGod Identification Number
MG_992-163-078-96
Transformation
MolGod Scientific ball-and-stick mesh
Changes
Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
Wikimedia Commons
not published yet
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