Sumanene - CAS 151253-59-7
Catalog: |
BB057741 |
Product Name: |
Sumanene |
CAS: |
151253-59-7 |
Synonyms: |
4,7-Dihydro-1H-tricyclopenta[def,jkl,pqr]triphenylene |
IUPAC Name: | heptacyclo[12.6.1.04,19.06,18.09,17.011,16.015,20]henicosa-1(20),2,4(19),6(18),7,9(17),11(16),12,14-nonaene |
Description: | Sumanene is a fullerene fragment. |
Molecular Weight: | 264.32 |
Molecular Formula: | C21H12 |
Canonical SMILES: | C1C2=C3C4=C(CC5=C4C6=C(CC7=C6C3=C1C=C7)C=C5)C=C2 |
InChI: | InChI=1S/C21H12/c1-2-11-8-13-5-6-15-9-14-4-3-12-7-10(1)16-17(11)19(13)21(15)20(14)18(12)16/h1-6H,7-9H2 |
InChI Key: | WOYKPMSXBVTRKZ-UHFFFAOYSA-N |
References: | Sakurai, H., et al. Science, 301, 1878 (2003). |
Complexity: | 381 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 264.093900383 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 264.093900383 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 0Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.9 |
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