undecacyclo[36.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37]hexaconta-1(40),2(60),3,5(59),6(58),7,9(57),10(56),11,13(55),14(54),15,17(53),18(52),19,21(51),22,24,26,28,30,32,34,36,38,41,43,45,47,49-triacontaene | SBID = 2219 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 0.0 | ||
| Ertl TPSA/Å2: | 0.0 | ||
| Hydrophilicity (PubChem XLogP): | 16.3 | ||
| Hydrophilicity (Cheng XLogP3): | 16.26 | ||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 0.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | |||
| Sum Formula: | C60H40 | ||
| M / g/mol: | 761.0 | ||
| Complexity: | 817.0 | ||
| Number of Conformers: | 0.0 |
Identifiers
- Tags:
- Name: undecacyclo[36.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37]hexaconta-1(40),2(60),3,5(59),6(58),7,9(57),10(56),11,13(55),14(54),15,17(53),18(52),19,21(51),22,24,26,28,30,32,34,36,38,41,43,45,47,49-triacontaene
- Preferred Abbreviation: [10]Cycloparaphenylene
- IUPAC Name: undecacyclo[36.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37]hexaconta-1(40),2(60),3,5(59),6(58),7,9(57),10(56),11,13(55),14(54),15,17(53),18(52),19,21(51),22,24,26,28,30,32,34,36,38,41,43,45,47,49-triacontaene
- CAS:
- CID: 60166695
- InChiKey: AZQFSRJNZXMCKW-UHFFFAOYSA-N
- InChi: InChI=1S/C60H40/c1-2-42-4-3-41(1)43-5-7-45(8-6-43)47-13-15-49(16-14-47)51-21-23-53(24-22-51)55-29-31-57(32-30-55)59-37-39-60(40-38-59)58-35-33-56(34-36-58)54-27-25-52(26-28-54)50-19-17-48(18-20-50)46-11-9-44(42)10-12-46/h1-40H
- CanoSmiles: C1=CC2=CC=C1C3=CC=C(C=C3)C4=CC=C(C=C4)C5=CC=C(C=C5)C6=CC=C(C=C6)C7=CC=C(C=C7)C8=CC=C(C=C8)C9=CC=C(C=C9)C1=CC=C(C=C1)C1=CC=C2C=C1
- IsoSmiles: C1=CC2=CC=C1C3=CC=C(C=C3)C4=CC=C(C=C4)C5=CC=C(C=C5)C6=CC=C(C=C6)C7=CC=C(C=C7)C8=CC=C(C=C8)C9=CC=C(C=C9)C1=CC=C(C=C1)C1=CC=C2C=C1
