<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">45107</id>
  <title nil="true"/>
  <common-name>Buckyballs (Fullerene C-70)</common-name>
  <description>Buckyballs (Fullerene C-70) belongs to the benzopyrenes, a subclass of pyrenes within the organic compounds. With an average molecular weight of 840.77 g/mol, Buckyballs (Fullerene C-70) is a heavy molecule. This compound, which has the formula C70, is categorized under the superclass of benzenoids. It has been found in or released from one recorded source: electrical and electronic equipment, specifically antennas.</description>
  <cas>115383-22-7</cas>
  <pubchem-id>16131935</pubchem-id>
  <chemical-formula>C70</chemical-formula>
  <weight nil="true"/>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2016-06-03T11:32:50Z</created-at>
  <updated-at type="dateTime">2026-04-05T14:29:34Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>C=12C3=C4C5=C6C=1C1=C7C8=C2C2=C9C%10=C8C8=C7C7=C%11C1=C6C1=C6C5=C5C4=C4C(=C32)C2=C9C3=C%10C9=C8C8=C7C7=C%10C%12=C%13C%14=C%15C(=C%12C1=C%11%10)C6=C1C%15=C6C%10=C%14C%11=C%12C(=C8C7=C%13%11)C9=C7C%12=C%10C8=C6C(C4=C2C8=C37)=C51</moldb-smiles>
  <moldb-formula>C70</moldb-formula>
  <moldb-inchi>InChI=1S/C70/c1-2-22-5-6-24-13-14-26-11-9-23-4-3(21(1)51-52(22)54(24)55(26)53(23)51)33-31(1)61-35-7-8-27-15-16-29-19-20-30-18-17-28-12-10(25(7)56-57(27)59(29)60(30)58(28)56)37(35)63(33)65-36(4)40(9)67(44(17)42(12)65)69-46(11)47(14)70(50(20)49(18)69)68-43(13)39(6)66(45(16)48(19)68)64-34(5)32(2)62(61)38(8)41(15)64</moldb-inchi>
  <moldb-inchikey>ATLMFJTZZPOKLC-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">840.77</moldb-average-mass>
  <moldb-mono-mass type="decimal">840.0</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM044002</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin>Zweckverband Landeswasserversorgung Langenau</stoff-ident-origin>
  <stoff-ident-id>SI00004674</stoff-ident-id>
  <susdat-id>NS00074155</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>0.0</moldb-polar-surface-area>
  <moldb-refractivity>271.7470000000001</moldb-refractivity>
  <moldb-polarizability>68.52724857631982</moldb-polarizability>
  <moldb-rotatable-bond-count>0</moldb-rotatable-bond-count>
  <moldb-acceptor-count>0</moldb-acceptor-count>
  <moldb-donor-count>0</moldb-donor-count>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>36</moldb-number-of-rings>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Benzenoids</superklass>
  <klass>Pyrenes</klass>
  <subklass>Benzopyrenes</subklass>
  <paper-count type="integer">347</paper-count>
  <sync-id>CED0012625</sync-id>
  <structure-inchikey>ATLMFJTZZPOKLC-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>200000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000080000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000008000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>ff7ffdfbfffffffffdffffffffffffffdffffefffffffdfbfffffffffffffffffffffffff7fffffeff7fffffffffffb7fffffffffffffffdfdfffdfffffffff7ffffffffffffffffbffbffeefefffffefffddffffffffffffffffff7fffffffffffbffffffffff7ffbfffffeffffff7ffffffffbfffffffffffffffffffbffffffefffffffffffffffffffffffffffbeffffff7bffffff7ffebffeffffdffffffffffffffbffffffffdfefffffffffff7fffffffffeffffffffffffddfff7ffffffffffffffffffffffffffffffffffbefffffff7fff7fffffffffffffeffffffffffffdffefffffffffbffffffffbfffefdffffffffffffff9ffffffffffe5f</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAABGAAAAaQAAAIABBkAoAAAAAwQGQCgAAAAD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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:12:31Z</structure-indexed-at>
</compound>
