graphite — License & Provenance

CAS 7782-42-5 · C · MolGod PREDICTED 3D molecular model (computed by MolGod Scientific, not verified)

graphite (CAS 7782-42-5) — MolGod molecule record: properties, safety, literature and sources for this substance.

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 (no conformer embedding or force-field optimisation was needed: the substance consists of single-atom ions only, whose arrangement is a presentation convention). 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. 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
  3. 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/5462310
  4. 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)
License not yet granted for this model. Source rights are undetermined. A Creative Commons license may only be applied by a party holding the necessary rights, so this record documents provenance but does not yet grant a license.

Identity

Model identifierMG-STL-7782-42-5
CAS Registry Number7782-42-5
Name sourceMolGod_Name_Registry (en)
Molecular formulaC
PubChem CID5462310
InChIKeyOKTJSMMVPCPJKN-UHFFFAOYSA-N
WikidataQ623
MolGod molecule recordgraphite (CAS 7782-42-5) — molecule record

Geometry provenance

SourcePubChem (source record type not recorded for this substance)
EndpointNot recorded in the MolGod cache entry for this substance.
Dimensionality2d
Retrieved2026-09-03 17:44:14
Atoms / bonds1 / 0
ModificationPREDICTED geometry. Atomic coordinates were computed by MolGod Scientific (RDKit ETKDGv3 + force field) from the structural formula, because no source 3-D conformer was available. They are not measured, not from PubChem and not verified.

Preview

PREDICTED MODEL — NOT VERIFIED
computed by MolGod Scientific · experimental feature (beta) · may contain errors
PREDICTED 3D molecular model (computed by MolGod Scientific, not verified) of graphite (CAS 7782-42-5), ball-and-stick representation, rendered from the MolGod STL fileDownload image


Rendered from this exact STL file, not from a second source. Single material — the STL format carries no colour channel. Colours in the preview are assigned by the renderer from the element palette and are not part of the downloadable geometry.

Artefact

FormatSTL (binary). Coordinate convention: ångström (Å) — STL itself stores no unit metadata. Slicers read STL as millimetres by default, so set the scale deliberately before printing.
Print scaleRecommended print scale: FDM (0.4 mm nozzle, 0.2 mm layer) at least 3.4 mm per Å (model about 4 mm across); resin printer (50 µm) at least 0.5 mm per Å (about 1 mm). Below this scale the thinnest bond cylinders become too thin to print. The printer limits are typical values assumed by MolGod, not a test of your printer.
Downloadmolgod-7782-42-5.stl (16 KB)
SHA-25698574e683f69a9a0ae2c2fc2db335868976bfc20ec4823af4d92ada532b039a3
MD5b97873fcd589c196124cf0cdbeb8e37e
Size16,084 bytes
Triangles320
Mesh1 atom spheres + 0 bond cylinders (one, two or three per bond, by bond order), each a closed outward-oriented solid; the solids intersect by design.
Atomic radiivan der Waals radii from the versioned MolGod table MG2, values from Bondi 1964 (doi:10.1021/j100785a001), checked against the original publication: Table I, p. 443. Used in this model: C 1.70 Å.
The file header declares vdw:MG2.
Sphere scale and bond radius are presentation parameters, not chemical quantities.
ExporterMolGod STL Exporter build 48804cd20b0d
Validatormesh validity check PASS before publication (2026-10-15); external cross-check (trimesh/numpy-stl) NOT PERFORMED for this model
Generated2026-10-15T00:40:04Z
The STL format stores no bond-order or colour metadata. Bond order is therefore shown geometrically — one, two or three cylinders per bond, following the PubChem Kekulé structure, in both the canonical and the engraved variant — and preserved as data in this record and in the accompanying metadata.

License

LicenseCC BY-SA 4.0 International
CreatorMolGod Scientific
Required attribution"graphite (CAS 7782-42-5) — PREDICTED 3D molecular model (computed by MolGod Scientific, not verified)" by MolGod Scientific. PREDICTED geometry: conformer computed by MolGod Scientific with RDKit (ETKDGv3) from the PubChem structural formula, NOT verified against measured data; rendered as a triangulated mesh (van der Waals spheres and bond cylinders). LICENCE NOT YET GRANTED: source rights are not established, so no Creative Commons licence is asserted for this model. Provenance: https://molgod.org/licenses/stl/7782-42-5/
Wikimedia Commons tag{{Cc-by-sa-4.0}}
Source representationPubChem record used for identity and connectivity only (SMILES, InChIKey). no source 3D conformer was available to MolGod for this substance; the geometry is a PREDICTED conformer computed by MolGod Scientific and is not verified.
Source rights basisNCBI Molecular Data Usage Policy. NCBI does not itself restrict use or redistribution of molecular data, but does not transfer rights that individual depositors may hold.
Rights assessmentundetermined — MolGod's own determination that this computed conformer may serve as the geometric basis of a derived mesh. This is not a licence grant by the source. The measured basis is that the conformer is computed by PubChem rather than deposited by a third party. A formal legal assessment of downstream rights has not been carried out; that risk is accepted explicitly and recorded in the MolGod decision register (2026-09-25).
Assessment scopeThis assessment covers only the computed 3D conformer used as geometric input. It does not extend to depositor data obtained from PubChem — names, spectra, physicochemical values or anything else.
Source URLPubChem CID 5462310
Source license termsNCBI Policies and Disclaimers
Source licensing guidancePubChem data downloads & licensing — PubChem states that an individual data source may provide its own licence terms and that these should be checked per source. This model uses a PubChem-computed conformer, not depositor-supplied data.
Attribution URLhttps://molgod.org/molecule/7782-42-5/
License & provenance URLhttps://molgod.org/licenses/stl/7782-42-5/
ScopeThis license applies to the MolGod-created STL mesh, not automatically to third-party source material.
Licence terms & attributionMolGod licence and attribution rules →

Licence grant. MolGod Scientific, the creator and copyright holder of the STL mesh MG-STL-7782-42-5 (SHA-256 98574e683f69a9a0ae2c2fc2db335868976bfc20ec4823af4d92ada532b039a3), hereby releases it under the CC BY-SA 4.0 International licence. The release covers the MolGod-created mesh only, not third-party source material (see Scope above).

The license above is the legal instrument and is granted by its official Creative Commons deed. This page is the MolGod provenance record for the artefact; it documents the source and the pipeline, and does not impose any condition beyond those of the license itself.