SDF/Mol File of Fullerene C60 (C60)

Structure Data File (SDF/MOL File) Description

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Additional Information for Identifying Fullerene C60 Molecule

• Chemical structure of Fullerene C60

  By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of Fullerene C60 is available in chemical structure page of Fullerene C60, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

• Molecular weight of Fullerene C60

  The molecular weight of Fullerene C60 is available in molecular weight page of Fullerene C60, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.

• Chemical formula of Fullerene C60

  The chemical formula of Fullerene C60 is given in chemical formula page of Fullerene C60, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• InChI (IUPAC International Chemical Identifier) information of Fullerene C60

  An alternative way of expressing structural information in text format is InChI. The full standard InChI of Fullerene C60 is:

  InChI=1S/C60/c1-2-5-6-3(1)8-12-10-4(1)9-11-7(2)17-21-13(5)23-24-14(6)22-18(8)28-20(12)30-26-16(10)15(9)25-29-19(11)27(17)37-41-31(21)33(23)43-44-34(24)32(22)42-38(28)48-40(30)46-36(26)35(25)45-39(29)47(37)55-49(41)51(43)57-52(44)50(42)56(48)59-54(46)53(45)58(55)60(57)59

  It can provide a standard way to encode the molecular information of Fullerene C60 to facilitate the search for the compound information in databases and on the web.

  The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of Fullerene C60 is:

  InChIKey=XMWRBQBLMFGWIX-UHFFFAOYSA-N

  The InChIKey may allow easier web searches for Fullerene C60, but it needs to be linked to the full InChI to get back to the original structure of the Fullerene C60 since the full standard InChI cannot be reconstructed from the InChIKey.

• Other names (synonyms) or registry numbers of Fullerene C60

  The Fullerene C60 compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of Fullerene C60 including the registry numbers are listed below, if available:

  • Fullerene carbon soot (contains 5-8wt% C60/C70 and higher fullerenes)
  • I14-100412
  • 3B1-009362
  • W-204191
  • C-58450
  • X4482
  • Fullerene powder, C60, 99.5% 100mg
  • (C\\{60}-I\\{h})[5,6]fullerene
  • NP9U26B839
  • Fullerenes - C60/C70 mixture

  • Fullerene powder, sublimed
  • Fullerene Extract, C60
  • [60-Ih]fullerene
  • 60C
  • Fullerene-C60
  • Fullerene-C??
  • Buckminsterfulleren
  • buckminsterfulereno
  • Fullerite
  • soccerballene

  • (C_{60}-I_{h})[5,6]fullerene
  • MFCD00151408
  • C60 Compound
  • (5,6)Fullerene-C60-Ih
  • Buckminsterfullerene C60
  • Fullerene - C60
  • Carbon C60
  • 131159-39-2
  • Fullerene powder
  • (C60-Ih)[5,6]fullerene

  • [5,6]fullerene-C60-Ih
  • Footballene
  • Fullerene 60
  • 99685-96-8
  • Buckyball
  • [60]fullerene
  • Buckminsterfullerene
  • Fullerene
  • Fullerene C60
  • Fullerene powder, mixed

  • C??

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Fullerene C60 Identification Summary Frequently Asked Questions (FAQs)

What’s the Fullerene C60 formula?
C60
How many atoms and what elements are included in the Fullerene C60 molecule?
60 atom(s) - 60 Carbon atom(s)
How many chemical bonds and what kind of bonds are in the Fullerene C60 structure?
90 bond(s) - 90 non-H bond(s), 90 multiple bond(s), 90 aromatic bond(s), 12 five-membered ring(s), 19 six-membered ring(s), 57 nine-membered ring(s), 27 ten-membered ring(s), 54 eleven-membered ring(s), and 84 twelve-membered ring(s)
What’s the Fullerene C60’s molar mass?
720.642 g/mol
What’s the SMILES structure of Fullerene C60?
c12c3c4c5c1c6c7c8c2c9c%10c3c%11c%12c4c%13c%14c5c%15c6c%16c7c%17c%18c8c9c%19c%20c%10c%11c%21c%22c%12c%13c%23c%24c%14c%15c%25c%16c%26c%17c%27c%18c%19c%28c%20c%21c%29c%22c%23c%30c%24c%25c%26c%31c%27c%28c%29c%30%31
What’s the InChI code of Fullerene C60?
InChI=1S/C60/c1-2-5-6-3(1)8-12-10-4(1)9-11-7(2)17-21-13(5)23-24-14(6)22-18(8)28-20(12)30-26-16(10)15(9)25-29-19(11)27(17)37-41-31(21)33(23)43-44-34(24)32(22)42-38(28)48-40(30)46-36(26)35(25)45-39(29)47(37)55-49(41)51(43)57-52(44)50(42)56(48)59-54(46)53(45)58(55)60(57)59
What’s the InChIKey format of Fullerene C60?
XMWRBQBLMFGWIX-UHFFFAOYSA-N

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commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).