2,3-[1,2-phenylenebis[oxy(3,6-dioxaoctane-1,8-diyl)oxy]]quinoxaline and one phenylenebis(oxy-p-phenylenemethylene)]bis(benzenemethaneaminium) | SBID = 757 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | |||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 2.0 | ||
| Number of H-Bond Donors: | 2.0 | ||
| Number of H-Bond Acceptors: | 12.0 | ||
| Number of Stereogenic Bonds (E/Z): | |||
| Number of Stereogenic Atoms (R/S): | |||
| 3D Volume/Å3: | |||
| Sum Formula: | C60H66N4O10++ | ||
| M / g/mol: | 1003.18684 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags:
- Name: 2,3-[1,2-phenylenebis[oxy(3,6-dioxaoctane-1,8-diyl)oxy]]quinoxaline and one phenylenebis(oxy-p-phenylenemethylene)]bis(benzenemethaneaminium)
- Preferred Abbreviation:
- IUPAC Name:
- CAS:
- CID: -220
- InChiKey: OVDDPNAHYDIMDK-UHFFFAOYSA-P
- InChi: InChI=1S/C34H32N2O2.C26H32N2O8/c1-3-7-27(8-4-1)23-35-25-29-11-15-31(16-12-29)37-33-19-21-34(22-20-33)38-32-17-13-30(14-18-32)26-36-24-28-9-5-2-6-10-28;1-2-6-22-21(5-1)27-25-26(28-22)36-20-16-32-12-10-30-14-18-34-24-8-4-3-7-23(24)33-17-13-29-9-11-31-15-19-35-25/h1-22,35-36H,23-26H2;1-8H,9-20H2/p+2
- CanoSmiles: [NH2+](Cc1ccccc1)Cc1ccc(cc1)Oc1ccc(cc1)Oc1ccc(cc1)C[NH2+]Cc1ccccc1.C1COCCOc2ccccc2OCCOCCOCCOc2c(OCCO1)nc1ccccc1n2
- IsoSmiles: C1(C=CC=C2)=C2OCCOCCOCCOC(N=C(C=CC=C3)C3=N4)=C4OCCOCCOCCO1.C5(C[NH2+]CC6=CC=C(OC7=CC=C(OC(C=C8)=CC=C8C[NH2+]CC9=CC=CC=C9)C=C7)C=C6)=CC=CC=C5
