2,3:6,7-bis[quinoxaline-2,3-diylbis[oxy(3,6-dioxaoctane-1,8-diyl)oxy]]-9,10-dipropylanthracene | SBID = 747 | Compound |
Structure
Molecular Properties
| Interactions: | 3 | ||
| PubChem TPSA/Å2: | 199.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 8.5 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 20.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | |||
| Sum Formula: | C60H74N4O16 | ||
| M / g/mol: | 1107.2 | ||
| Complexity: | 1420.0 | ||
| Number of Conformers: | 0.0 |
Identifiers
- Tags: macrocycle, typical host
- Name: 2,3:6,7-bis[quinoxaline-2,3-diylbis[oxy(3,6-dioxaoctane-1,8-diyl)oxy]]-9,10-dipropylanthracene
- Preferred Abbreviation: Bis[quinoxaline-2,3-diylbis[oxy(3,6-dioxaoctane-1,8-diyl)oxy]]-9,10-dipropylanthracene
- IUPAC Name: 2,39-dipropyl-6,9,12,15,26,29,32,35,43,46,49,52,63,66,69,72-hexadecaoxa-17,24,54,61-tetrazanonacyclo[38.34.0.03,38.05,36.016,25.018,23.042,73.053,62.055,60]tetraheptaconta-1,3,5(36),16,18,20,22,24,37,39,41,53,55,57,59,61,73-heptadecaene
- CAS:
- CID: 101485746
- InChiKey: PLYSKELJOXSBCO-UHFFFAOYSA-N
- InChi: InChI=1S/C60H74N4O16/c1-3-9-43-45-39-53-55(75-33-25-67-17-21-71-29-37-79-59-57(61-49-11-5-7-13-51(49)63-59)77-35-27-69-19-15-65-23-31-73-53)41-47(45)44(10-4-2)48-42-56-54(40-46(43)48)74-32-24-66-16-20-70-28-36-78-58-60(64-52-14-8-6-12-50(52)62-58)80-38-30-72-22-18-68-26-34-76-56/h5-8,11-14,39-42H,3-4,9-10,15-38H2,1-2H3
- CanoSmiles: CCCC1=C2C=C3C(=CC2=C(C4=CC5=C(C=C41)OCCOCCOCCOC6=NC7=CC=CC=C7N=C6OCCOCCOCCO5)CCC)OCCOCCOCCOC8=NC9=CC=CC=C9N=C8OCCOCCOCCO3
- IsoSmiles: CCCC1=C2C=C3C(=CC2=C(C4=CC5=C(C=C41)OCCOCCOCCOC6=NC7=CC=CC=C7N=C6OCCOCCOCCO5)CCC)OCCOCCOCCOC8=NC9=CC=CC=C9N=C8OCCOCCOCCO3
