Fullerene C78

• CAS: 136316-32-0
• Catalog Number: ACM136316320
• Category: Renewable & Alternative Energy
• Molecular Weight: 936.83
• Molecular Formula: C78
• Description: Fullerene C78 is a molecule made up of 78 carbon atoms arranged in a series of interlocking hexagons and pentagons, forming a structure that looks similar to a rugby ball. C70 is actually a 37-sided polygon consisting of 12 pentagons and 25 hexagons.
• Synonyms: FULLERENE C78;FULLERENECARBON 78, 95.0%;Fullerene-C78,min.95%;Fullerene - C78, min. 95%
• IUPAC Name: tetracontacyclo[25.6.5.516,28.44,32.35,11.321,34.28,10.212,15.222,35.229,31.113,20.124,38.02,6.014,19.017,25.018,23.030,37.033,36.547,54.446,53.448,58.126,51.150,52.03,45.07,42.09,61.039,40.041,43.044,63.049,76.055,78.056,62.057,68.059,64.060,67.065,69.066,71.070,73.072,75.074,77]octaheptaconta-1,3(45),4(48),5(61),6,8,10,12,14,16,18,20,22,24(39),25,27(38),28,30,32,34(42),35(40),36,41(43),44(63),46,49(76),50(77),51,53,55(78),56(62),57,59,64,66,68,70(73),71,74-nonatriacontaene
• Canonical SMILES: C12=C3C4=C5C6=C7C8=C9C%10=C%11C%12=C%13C%14=C%15C%16=C%12C%12=C%17C%18=C%16C%16=C%19C%20=C(C1=C5C(=C%18%20)C%17=C6C8=C%11%12)C1=C5C%19=C6C8=C%11C5=C5C(=C21)C1=C3C2=C3C%12=C1C1=C5C%11=C5C%11=C8C(=C%14C8=C%11C%11=C%14C(=C%12C1=C%115)C1=C3C(=C9C3=C1C%14=C8C%13=C%103)C7=C42)C6=C%16%15
• InChI: InChI=1S/C78/c1-2-6-14-30-22-10(2)26-25-9(1)21-29-13-5(1)17-18(6)38-34(14)58-72-50(30)66-42(22)54-46(26)69-45(25)53-41(21)65-49(29)71-57-33(13)37(17)61-62(38)78-64-40-20-8-4-3-7-15-31-23-11(3)27-28-12(4)24-32-16(8)36(40)60(76(58)78)74(72)52(32)68(66)44(24)56(54)48(28)70(69)47(27)55(53)43(23)67(65)51(31)73(71)59-35(15)39(19(7)20)63(64)77(61)75(57)59
• InChI Key: VELSFHQDWXAPNK-UHFFFAOYSA-N
• Melting Point: >350°C
• Appearance: Solid
• Complexity: 3220
• Covalently-Bonded Unit Count: 1
• Exact Mass: 936g/mol
• Formal Charge: 0
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• Heavy Atom Count: 78
• MDL Number: MFCD00283288
• Monoisotopic Mass: 936g/mol
• Rotatable Bond Count: 0
• XLogP3: 19