Hexaphenoxycyclotriphosphazene

CAS 1184-10-7  ·  C36H30N3O6P3  ·  MW 693.6 g/mol

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3D model Hexaphenoxycyclotriphosphazene, CAS 1184-10-7, molecular formula C36H30N3O6P3, molar mass 693.6 g/mol

Model views

  • Hexaphenoxycyclotriphosphazene (CAS 1184-10-7) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • Hexaphenoxycyclotriphosphazene (CAS 1184-10-7) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • Hexaphenoxycyclotriphosphazene (CAS 1184-10-7) – space-filling 3D model, MolGod Viewer
    space-filling 3D model
  • Hexaphenoxycyclotriphosphazene (CAS 1184-10-7) – 2D structure, MolGod Viewer
    2D structure

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About Hexaphenoxycyclotriphosphazene

Hexaphenoxycyclotriphosphazene is a chemical compound registered under number CAS 1184-10-7, with the molecular formula C36H30N3O6P3, and a molar mass of 693.6 g/mol.

The molecule contains 78 atoms connected by 84 chemical bonds. The full systematic IUPAC name of this compound is 2,2,4,4,6,6-hexaphenoxy-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene. 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 = 11.7 (positive value, a lipophilic compound), polar surface area PSA = 92.5 Ų, 0 donors and 9 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 widget above may be used for educational, research and commercial purposes.

Physicochemical properties
Molecular formulaC36H30N3O6P3
Molar mass693.6 g/mol
IUPAC2,2,4,4,6,6-hexaphenoxy-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene
SMILESC1=CC=C(C=C1)OP2(=NP(=NP(=N2)(OC3=CC=CC=C3)OC4=CC=CC=C4)(OC5=CC=CC=C5)OC6=CC=CC=C6)OC7=CC=CC=C7
InChIKeyRNFJDJUURJAICM-UHFFFAOYSA-N
logP (XLogP3)11.7
PSA92.5 Ų
HBD / HBA0 / 9
PubChem CIDCID 136917 ↗
Scientific literature

Brak articles naukowych dla CAS 1184-10-7 w PubMed / OpenAlex / Semantic Scholar.

Synonyms
Hexaphenoxycyclotriphosphazene · 1184-10-7 · 2lambda5,4lambda5,6lambda5-1,3,5,2,4,6-Triazatriphosphorine, 2,2,4,4,6,6-hexaphenoxy- · 2.lambda.5,4.lambda.5,6.lambda.5-1,3,5,2,4,6-Triazatriphosphorine, 2,2,4,4,6,6-hexaphenoxy- · RefChem:787431 · DTXCID8074601 · 482-200-1 · PHENOXYCYCLOPOSPHAZENE · Hexaphenoxycyclotriphosphazatriene · MFCD00183774 · NSC117810 · 2,2,4,4,6,6-hexaphenoxy-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene · 2,2,4,4,6,6-hexaphenoxy-1,3,5,2lambda~5~,4lambda~5~,6lambda~5~-triazatriphosphinine · NSC-117810 · SY055946
Data sources
Related molecules
📜 License & provenancePREDICTED MODEL · NOT VERIFIEDMolGod_License_1
PREDICTED MODEL — NOT VERIFIED
computed by MolGod Scientific · experimental feature (beta) · may contain errors

No source 3-D conformer was available to MolGod for this substance. MolGod Scientific computed this geometry from the structural formula with RDKit 2026.03.6 (ETKDGv3 conformer generation, MMFF94 force-field optimisation; lowest-energy converged conformer of a fixed-seed set). It is not a measured structure, it does not come from PubChem, and it has not been compared with experimental data. It shows one possible conformation.

Methods and references
  1. RDKit: Open-source cheminformatics, version 2026.03.6. Zenodo. doi:10.5281/zenodo.22140358 (all versions: doi:10.5281/zenodo.591637)
  2. Riniker S, Landrum GA. Better Informed Distance Geometry: Using What We Know To Improve Conformation Generation. J. Chem. Inf. Model. 2015, 55, 2562-2574. doi:10.1021/acs.jcim.5b00654
  3. Wang S, Witek J, Landrum GA, Riniker S. Improving Conformer Generation for Small Rings and Macrocycles Based on Distance Geometry and Experimental Torsional-Angle Preferences. J. Chem. Inf. Model. 2020, 60, 2044-2058. doi:10.1021/acs.jcim.0c00025
  4. Halgren TA. Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94. J. Comput. Chem. 1996, 17, 490-519. doi:10.1002/(SICI)1096-987X(199604)17:5/6<490::AID-JCC1>3.0.CO;2-P
  5. Tosco P, Stiefl N, Landrum G. Bringing the MMFF force field to the RDKit: implementation and validation. J. Cheminform. 2014, 6, 37. doi:10.1186/s13321-014-0037-3
  6. Heller SR, McNaught A, Pletnev I, Stein S, Tchekhovskoi D. InChI, the IUPAC International Chemical Identifier. J. Cheminform. 2015, 7, 23. doi:10.1186/s13321-015-0068-4
  7. Kim S, Chen J, Cheng T, et al. PubChem 2025 update. Nucleic Acids Res. 2025, 53, D1516-D1525. doi:10.1093/nar/gkae1059 Compound record: https://pubchem.ncbi.nlm.nih.gov/compound/136917
  8. Bolton EE, Kim S, Bryant SH. PubChem3D: Conformer generation. J. Cheminform. 2011, 3, 4. doi:10.1186/1758-2946-3-4 (cited for contrast: no source 3-D conformer was available to MolGod for this record)
Hexaphenoxycyclotriphosphazene (CAS 1184-10-7), C36H30N3O6P3 - 3D ball-and-stick molecular model, engraved element symbols (C H N O P), MolGod STL previewDownload image

MG-STL-1184-10-7-ENGRAVED · 1,056,966 △ · 50 MB · SHA-256 675a3dbbd02e5b4b

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Hexaphenoxycyclotriphosphazene (CAS 1184-10-7), C36H30N3O6P3 - 3D ball-and-stick molecular model, MolGod STL previewDownload image

MG-STL-1184-10-7-NORMAL · 35,040 △ · 2 MB · SHA-256 cf3ea499ec46d941

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Model
Hexaphenoxycyclotriphosphazene · 1184-10-7
InChIKey
RNFJDJUURJAICM-UHFFFAOYSA-N
License
CC BY-SA 4.0 International (source rights undetermined — not yet granted)
Attribution
MolGod Scientific — Hexaphenoxycyclotriphosphazene (CAS 1184-10-7)
License & provenance record
Hexaphenoxycyclotriphosphazene (CAS 1184-10-7) →
MolGod molecule record
Hexaphenoxycyclotriphosphazene →
Source data
PubChem CID 136917 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
cf3ea499ec46d94184249eb202569f7dd0a69ef0fd219305964bd4eb9ef8385d
MD5 (STL)
ced3543877f4ef266d836d65cbcbaf60
Model identifier
MG-STL-1184-10-7
Transformation
MolGod Scientific ball-and-stick mesh
Changes
PREDICTED geometry computed by MolGod Scientific (RDKit), NOT verified; rendered as a triangulated mesh.
Wikimedia Commons
not published yet

This license applies to the MolGod-created STL mesh, not automatically to third-party source material.

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