Fullerene C70

Synopsis, Chemistry

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Also known as: 115383-22-7, C70 fullerene, Fullerene 70, (c70-d5h(6))[5,6]fullerene, [5,6]-fullerene-c70, Mfcd31654066

Molecular Formula

C₇₀

Molecular Weight

840.7 g/mol

InChI Key

ATLMFJTZZPOKLC-UHFFFAOYSA-N

1 2D Structure

Fullerene C70

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(C70-D5h(6))[5,6]fullerene

2.1.2 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

2.1.3 InChI Key

ATLMFJTZZPOKLC-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C12=C3C4=C5C6=C7C8=C9C%10=C%11C%12=C%13C%10=C%10C8=C5C1=C%10C1=C%13C5=C8C1=C2C1=C3C2=C3C%10=C%13C%14=C3C1=C8C1=C3C5=C%12C5=C8C%11=C%11C9=C7C7=C9C6=C4C2=C2C%10=C4C(=C29)C2=C6C(=C8C8=C9C6=C4C%13=C9C(=C%141)C3=C85)C%11=C27

2.2 Synonyms

2.2.1 MeSH Synonyms

1. C70 Fullerene

2. Fullerene 70

2.2.2 Depositor-Supplied Synonyms

1. 115383-22-7

2. C70 Fullerene

3. Fullerene 70

4. (c70-d5h(6))[5,6]fullerene

5. [5,6]-fullerene-c70

6. Mfcd31654066

7. Rugbyballene

8. [5,6]fullerene-c70-d5h(6)

9. Fullerene C-70

10. Carbon C70

11. Fullerene - C70

12. [70-d5h]fullerene

13. Buckminsterfullerene C70

14. Chebi:33195

15. Dtxsid90151050

16. [5,6]fullerene-c70-d5h(6

17. (5,6)fullerene-c70-d5h (6)

18. Zinc96068395

19. Akos037648485

20. Bs-14126

21. F1233

22. Ft-0626557

23. D82998

24. Q3885009

25. Fullerene C70 (purified By Sublimation) [for Organic Electronics]

2.3 Create Date

2007-07-03

3 Chemical and Physical Properties

Molecular Formula	C₇₀
Molecular Weight	840.7 g/mol
XLogP3	10.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	840 g/mol
Monoisotopic Mass	840 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	70
Formal Charge	0
Complexity	4760
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1