2,3,3-Trimethylbenzoindolenine

CAS 41532-84-7  ·  C15H15N  ·  MW 209.29 g/mol

Full record: 2,3,3-Trimethylbenzoindolenine — Safety Data Sheet →

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3D model 2,3,3-Trimethylbenzoindolenine, CAS 41532-84-7, molecular formula C15H15N, molar mass 209.29 g/mol

Model views

  • 2,3,3-Trimethylbenzoindolenine (CAS 41532-84-7) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • 2,3,3-Trimethylbenzoindolenine (CAS 41532-84-7) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • space-filling 3D model – rotation animation
  • 2,3,3-Trimethylbenzoindolenine (CAS 41532-84-7) – 2D structure, MolGod Viewer
    2D structure

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2,3,3-Trimethylbenzoindolenine (CAS 41532-84-7), C15H15N - 3D ball-and-stick molecular model, engraved element symbols (C H N), MolGod STL previewDownload image

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About 2,3,3-Trimethylbenzoindolenine

2,3,3-Trimethylbenzoindolenine is a chemical compound registered under number CAS 41532-84-7, with the molecular formula C15H15N, and a molar mass of 209.29 g/mol.

The molecule contains 31 atoms connected by 33 chemical bonds. The full systematic IUPAC name of this compound is 1,1,2-trimethylbenzo[e]indole. 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 = 3.5 (positive value, a lipophilic compound), polar surface area PSA = 12.4 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 formulaC15H15N
Molar mass209.29 g/mol
IUPAC1,1,2-trimethylbenzo[e]indole
SMILESCC1=NC2=C(C1(C)C)C3=CC=CC=C3C=C2
InChIKeyWJZSZXCWMATYFX-UHFFFAOYSA-N
logP (XLogP3)3.5
PSA12.4 Ų
HBD / HBA0 / 1
PubChem CIDCID 170530 ↗
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 41532-84-7 w PubMed / OpenAlex / Semantic Scholar.

Synonyms
41532-84-7 · 1,1,2-TRIMETHYL-1H-BENZO[E]INDOLE · 1,1,2-TRIMETHYL-1H-BENZ[E]INDOLE · 1,1,2-Trimethylbenz[e]indole · 2,3,3-trimethylbenzoindolenine · 2,3,3-Trimethyl-4,5-benzo-3H-indole · 1H-BENZ[E]INDOLE, 1,1,2-TRIMETHYL- · 1H-Benz(e)indole, 1,1,2-trimethyl- · EINECS 255-429-8 · 1,1,2-Trimethyl-1H-benz(e)indole · 1,1-2-Trimethyl-1H-benz(e)indole · F56431T911 · 1,1,2-trimethyl-1h-benzo(e)indole · 1,1,2-TRIMETHYLBENZ(E)INDOLE · 2,3,3-TRIMETHYL-3H-BENZ(E)INDOLE
Data sources
Related molecules
📜 License & provenanceMolGod_License_1
COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.
Model
2,3,3-Trimethylbenzoindolenine · 41532-84-7
InChIKey
WJZSZXCWMATYFX-UHFFFAOYSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — 2,3,3-Trimethylbenzoindolenine (CAS 41532-84-7)
License & provenance record
2,3,3-Trimethylbenzoindolenine (CAS 41532-84-7) →
MolGod molecule record
2,3,3-Trimethylbenzoindolenine →
Source data
PubChem CID 170530 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
22081f41c8a43cd6389e275330aed43c673d7d9fd88f09fbea87ac106ed20e65
MD5 (STL)
759778613266947bceefac7942e622a6
MolGod Identification Number
MG_303-716-556-45
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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