Compound: Fullerene
SMILES: C12=C3C=4C=5C=6C7=C8C9=C%10C%11=C7C5C%12=C%13C4C1=C%14C=%15C%16=C%17C%18=C%19C%20=C%16C%14=C%13C%21=C%20C%22=C(C%11=C%12%21)C%10=C%23C%24=C9C=%25C8=C%26C6C3=C%27C%26=C%28C%25C=%29C=%30C%28=C%31C%27=C2C%15C%31=C%17C%30C%18=C(C%29%24)C%23=C%19%22
InChIKey: XMWRBQBLMFGWIX-UHFFFAOYSA-N
Synonyms: Fullerene, Fullerenes, Buckyballs, Buckminsterfullerenes, RefChem:5620, CHEBI:33416, DTXSID501336805, 99685-96-8, Buckminsterfullerene, Fullerene-C60, Fullerene C60, C60 Fullerene, Buckyball, [5,6]fullerene-C60-Ih, 131159-39-2, [60]fullerene, Footballene, (C60-Ih)[5,6]fullerene, Fullerene 60, C60, soccerballene, Buckminsterfullerene C60, Fullerene powder, MFCD00151408, MFCD00282904, (5,6)Fullerene-C60-Ih, Fullerene Extract, C60 (contains ca. 20% C70), Fullerene C60 (pure), Fullerite, CHEBI:33128, NP9U26B839, Carbon C60, (C_{60}-I_{h})[5,6]fullerene, C60 Compound, Fullerene C60(Purity: 99.95wt%), Fullerene-C??, UNII-NP9U26B839, CCRIS 9349, DTXSID4031772, buckminsterfulereno, fullerenes C76, fullerenes C78, fullerenes C84, Buckminsterfulleren, Carboxyl Fullerene, Fullerenes C60, 60C, [60-Ih]fullerene, Fullerene - C60, ICOSAHEDRAL C60, Polyhydroxylated fullerene, Fullerene C60, (pure), FOLLENE-60, Fullerene powder, sublimed, Epitope ID:912706, FOOTBALLENE (C60), Graphitized Carbon Nanofibers, Fullerene-C60 (Buckeyballs), Fullerene-C60 >99.5%, FULLERENE C60 CLUSTER, SCHEMBL136905, orb1690098, SCHEMBL29353648, BUCKMINSTERFULLERENE [MI], Fullerene Nanotubes, Multi-Walled, Fullerene Nanotubes, Single-Walled, [5,?6]?Fullerene-?C60-?Ih, Giant Fullerene(Purity: 95.0wt%), Fullerene C60(Purity: 99.5wt%), Fullerene C60(Purity: 99.9wt%), Fullerene C70(Purity: 98.0wt%), Fullerene C70(Purity: 99.0wt%), Fullerene C70(Purity: 99.5wt%), fullerenes C76(Purity: 95.0wt%), fullerenes C76(Purity: 98.0wt%), fullerenes C78(Purity: 95.0wt%), fullerenes C78(Purity: 98.0wt%), fullerenes C84(Purity: 95.0wt%), fullerenes C84(Purity: 98.0wt%), fullerenes C84(Purity: 99.0wt%), Fullerenes C60(Purity: 99.5wt%), AKOS040758507, Fullerene powder, 99.9+% C{60}, FF16050, Fullerenes C60(Purity: 99.9 wt%), DA-53425, LS-15519, SY078665, B1660, F1232, NS00074083, Fullerene powder, sublimed, 99.9+% C{60}, D81921, F556447, F840978, Fullerene - C60, 99.9+% (Buckminsterfullerene), Fullerene - C60, min. 99% (Buckminsterfullerene), Q1075376, Fullerene powder, mixed, typically 98% C{60}, 2% C{70}, Fullerene C60 (purified by sublimation) [for organic electronics], Fullerene carbon soot (contains 5-8wt% C60/C70 and higher fullerenes), Fullerene powder, mixed refined, typically 70% C{60}, 28% C{70}, higher 2%, Fullerene powder, mixed refined, typically 77% C{60}, 22% C{70}, <2% higher
Theoretical properties:
molecular_formula: C60
molecular_weight: 720.6 g/mol
exact_mass: 720 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 0
rotatable_bond_count: 0
heavy_atom_count: 60
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Spherical aromatic molecule with a hollow truncated-icosahedron structure, similar to a soccer ball. /C60/
color: Spherical aromatic molecule with a hollow truncated-icosahedron structure, similar to a soccer ball. /C60/
melting_point: At 260 K, a first-order phase transition from face-centered cubic crystal structure to a simple cubic structure is observed, accompanied by a lattice contraction. ... At 90 K the molecules rearrange to attain the best global minimum. ... At this temperature, the rotational degrees of freedom are frozen, and the solid structure is designated as a pseudo-face-centered cubic crystal structure. C70 Fullerene is rotationally disordered at room temperature and undergoes a transition to a low-temperature phase.
density: 1.72 g/cu cm /Solid state/
solubility: Virtually insoluble in acetone, ethers, and alcohols
Descriptions:
pubchem: C60 fullerene is a fullerene. It has a role as a geroprotector.
wikipedia: A fullerene is an allotrope of carbon whose molecules consist of carbon atoms connected by single and double bonds so as to form a closed or partially closed mesh, with fused rings of five to six atoms. The molecules may have hollow sphere- and ellipsoid-like forms, tubes, or other shapes.
Fullerenes with a closed mesh topology are informally denoted by their empirical formula Cn, often written Cn, where n is the number of carbon atoms. However, for some values of n there may be more than one isomer.
The family is named after buckminsterfullerene (C60), the most famous member, which in turn is named after Buckminster Fuller. The closed fullerenes, especially C60, are also informally called buckyballs for their resemblance to the standard ball of association football. Nested closed fullerenes have been named bucky onions. Cylindrical fullerenes are also called carbon nanotubes or buckytubes. The bulk solid form of pure or mixed fullerenes is called fullerite.
Fullerenes had been predicted for some time, but only after their accidental synthesis in 1985 were they detected in nature and outer space. The discovery of fullerenes greatly expanded the number of known allotropes of carbon, which had previously been limited to graphite, diamond, and amorphous carbon such as soot and charcoal. They have been the subject of intense research, both for their chemistry and for their technological applications, especially in materials science, electronics, and nanotechnology.