Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 6'-(ethyl(4-methylphenyl)amino)-3'-methyl-2'-(phenylamino)-

CAS 59129-79-2  ·  C36H30N2O3  ·  MW 538.6 g/mol

Full record: Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 6'-(ethyl(4-methylphenyl)amino)-3'-methyl-2'-(phenylamino)- — Safety Data Sheet →

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3D model Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 6'-(ethyl(4-methylphenyl)amino)-3'-methyl-2'-(phenylamino)-, CAS 59129-79-2, molecular formula C36H30N2O3, molar mass 538.6 g/mol

Model views

  • Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 6'-(ethyl(4-methylphenyl)amino)-3'-methyl-2'-(phenylamino)- (CAS 59129-79-2) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 6'-(ethyl(4-methylphenyl)amino)-3'-methyl-2'-(phenylamino)- (CAS 59129-79-2) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • space-filling 3D model – rotation animation
  • Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 6'-(ethyl(4-methylphenyl)amino)-3'-methyl-2'-(phenylamino)- (CAS 59129-79-2) – 2D structure, MolGod Viewer
    2D structure

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About Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 6'-(ethyl(4-methylphenyl)amino)-3'-methyl-2'-(phenylamino)-

Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 6'-(ethyl(4-methylphenyl)amino)-3'-methyl-2'-(phenylamino)- is a chemical compound registered under number CAS 59129-79-2, with the molecular formula C36H30N2O3, and a molar mass of 538.6 g/mol.

The molecule contains 71 atoms connected by 77 chemical bonds. The full systematic IUPAC name of this compound is 2'-anilino-6'-(N-ethyl-4-methylanilino)-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one. 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 = 8.5 (positive value, a lipophilic compound), polar surface area PSA = 50.8 Ų, 1 donors and 5 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 formulaC36H30N2O3
Molar mass538.6 g/mol
IUPAC2'-anilino-6'-(N-ethyl-4-methylanilino)-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one
SMILESCCN(C1=CC=C(C=C1)C)C2=CC3=C(C=C2)C4(C5=CC=CC=C5C(=O)O4)C6=C(O3)C=C(C(=C6)NC7=CC=CC=C7)C
InChIKeyIXHBSOXJLNEOPY-UHFFFAOYSA-N
logP (XLogP3)8.5
PSA50.8 Ų
HBD / HBA1 / 5
PubChem CIDCID 100964 ↗
Scientific literature

Brak articles naukowych dla CAS 59129-79-2 w PubMed / OpenAlex / Semantic Scholar.

Synonyms
2'-anilino-6'-[ethyl(p-tolyl)amino]-3'-methylspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one · EINECS 261-618-6 · 3-(N-Ethyl-N-p-tolyl)amino-6-methyl-7-anilinofluoran · 3'-(N-Ethyl-N-p-tolylamino)-6'-methyl-7'-anilinofluoran · 2'-Anilino-6'-(ethyl(p-tolyl)amino)-3'-methylspiro(isobenzofuran-1(3H),9'-(9H)xanthene)-3-one · RefChem:888791 · DTXCID301025684 · 261-618-6 · 59129-79-2 · C36H30N2O3 · MFCD27977254 · 2'-anilino-6'-(N-ethyl-4-methylanilino)-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one · SCHEMBL1395592 · SCHEMBL29915238 · AKOS037647685
Data sources
Related molecules
📜 License & provenanceMolGod_License_1
COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.
Model
Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 6'-(ethyl(4-methylphenyl)amino)-3'-methyl-2'-(phenylamino)- · 59129-79-2
InChIKey
IXHBSOXJLNEOPY-UHFFFAOYSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 6'-(ethyl(4-methylphenyl)amino)-3'-methyl-2'-(phenylamino)- (CAS 59129-79-2)
License & provenance record
Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 6'-(ethyl(4-methylphenyl)amino)-3'-methyl-2'-(phenylamino)- (CAS 59129-79-2) →
MolGod molecule record
Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 6'-(ethyl(4-methylphenyl)amino)-3'-methyl-2'-(phenylamino)- →
Source data
PubChem CID 100964 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
a0bee7ca250f79b994e386b97f9ff525d3a0499fdf0c647565223eac642b0131
MD5 (STL)
32196f773f4cf5f437d76f2b9be058fd
MolGod Identification Number
MG_872-249-373-27
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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