2,7-di(2,5,8,11-tetraoxatridecan-13-yl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone | SBID = 1888 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | |||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 12.0 | ||
| Number of Stereogenic Bonds (E/Z): | |||
| Number of Stereogenic Atoms (R/S): | |||
| 3D Volume/Å3: | |||
| Sum Formula: | C32H42N2O12 | ||
| M / g/mol: | 646.68208 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags: typical guest
- Name: 2,7-di(2,5,8,11-tetraoxatridecan-13-yl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone
- Preferred Abbreviation: 2,7-di(2,5,8,11-tetraoxatridecan-13-yl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone
- IUPAC Name:
- CAS: 1373115-10-6
- CID: -800
- InChiKey: RHFPJTCDVVJBMI-UHFFFAOYSA-N
- InChi: InChI=1S/C32H42N2O12/c1-39-11-13-43-19-21-45-17-15-41-9-7-33-29(35)23-3-5-25-28-26(6-4-24(27(23)28)30(33)36)32(38)34(31(25)37)8-10-42-16-18-46-22-20-44-14-12-40-2/h3-6H,7-22H2,1-2H3
- CanoSmiles: COCCOCCOCCOCCN1C(=O)c2ccc3c4c2c(C1=O)ccc4C(=O)N(C3=O)CCOCCOCCOCCOC
- IsoSmiles: O=C(N(CCOCCOCCOCCOC)C1=O)C2=C(C1=CC=C3C(N(CCOCCOCCOCCOC)C4=O)=O)C3=C4C=C2
