3,4,9,10-Perylenetetracarboxylic dianhydride

CAS 128-69-8  ·  C24H8O6  ·  MW 392.3 g/mol

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3D model 3,4,9,10-Perylenetetracarboxylic dianhydride, CAS 128-69-8, molecular formula C24H8O6, molar mass 392.3 g/mol
About 3,4,9,10-Perylenetetracarboxylic dianhydride

3,4,9,10-Perylenetetracarboxylic dianhydride is a chemical compound registered under number CAS 128-69-8, with the molecular formula C24H8O6, and a molar mass of 392.3 g/mol.

The molecule contains 38 atoms connected by 44 chemical bonds. The full systematic IUPAC name of this compound is 7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone. 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 = 4.5 (positive value, a lipophilic compound), polar surface area PSA = 86.7 Ų, 0 donors and 6 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 formulaC24H8O6
Masa molowa392.3 g/mol
IUPAC7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
SMILESC1=CC2=C3C(=CC=C4C3=C1C5=C6C4=CC=C7C6=C(C=C5)C(=O)OC7=O)C(=O)OC2=O
InChIKeyCLYVDMAATCIVBF-UHFFFAOYSA-N
logP (XLogP3)4.5
PSA86.7 Ų
HBD / HBA0 / 6
PubChem CIDCID 67191 ↗
GHS safety

Signal word: Warning

GHS07
GHS07
Scientific literature

Related literature

15 articles · 0 open access · Sources: PubMed, OpenAlex, Semantic Scholar

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📈 Publication timeline (15 articles)

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Cytowania: 1$ PaywallDOI ↗
(2009) · Matlab for Neuroscientists
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Dane z PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary wygenerowane przez Semantic Scholar TLDR. Artykuły z ikoną wymagają płatnego dostępu.

Synonyms
128-69-8 · 3,4,9,10-Perylenetetracarboxylic dianhydride · Perylo[3,4-cd:9,10-c'd']dipyran-1,3,8,10-tetrone · Perylo(3,4-cd:9,10-c'd')dipyran-1,3,8,10-tetrone · 3,4:9,10-Perylenetetracarboxylic anhydride · 3,4,9,10-Perylenetetracarboxylic 3,4:9,10-dianhydride · PTCDA cpd · RefChem:90972 · DTXCID1033901 · PTCDA · Perylene-3,4,9,10-tetracarboxylic dianhydride · anthra[2,1,9-def:6,5,10-d'e'f']diisochromene-1,3,8,10-tetraone · Perylenetetracarboxylic anhydride · Perylenetetracarboxylic acid dianhydride · C24H8O6
Data sources
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📜 License & provenanceMolGod_License_1
Model
3,4,9,10-Perylenetetracarboxylic dianhydride · 128-69-8
License
CC BY 4.0 International (source rights undetermined — not yet granted)
Attribution
MolGod Scientific
License & provenance record
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Source data
PubChem CID 67191 ↗
SHA-256 (STL)
7de1cd5a7c35faa8ea52e9898878d263e3286fc4b09c439d31dafa4dadb6e8bf
Wikimedia Commons
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