Naphthalenediimide | SBID = 1886 | 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: | 6.0 | ||
| Number of Stereogenic Bonds (E/Z): | |||
| Number of Stereogenic Atoms (R/S): | |||
| 3D Volume/Å3: | |||
| Sum Formula: | C22H24N4O4 | ||
| M / g/mol: | 408.45036 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags: aromatic, typical guest
- Name: Naphthalenediimide
- Preferred Abbreviation: Naphthalenediimide
- IUPAC Name:
- CAS: 73528-89-9
- CID: -798
- InChiKey: HPJFXFRNEJHDFR-UHFFFAOYSA-N
- InChi: InChI=1S/C22H24N4O4/c1-23(2)9-11-25-19(27)13-5-7-15-18-16(8-6-14(17(13)18)20(25)28)22(30)26(21(15)29)12-10-24(3)4/h5-8H,9-12H2,1-4H3
- CanoSmiles: CN(CCN1C(=O)c2ccc3c4c2c(C1=O)ccc4C(=O)N(C3=O)CCN(C)C)C
- IsoSmiles: O=C(N(CCN(C)C)C1=O)C2=C(C1=CC=C3C(N(CCN(C)C)C4=O)=O)C3=C4C=C2
