N1,N3-bis(2,6-diisopropyl-4-nitrophenyl)isophthalamide | SBID = 989 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 4 | ||
| PubChem TPSA/Å2: | |||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 2.0 | ||
| Number of H-Bond Acceptors: | 8.0 | ||
| Number of Stereogenic Bonds (E/Z): | |||
| Number of Stereogenic Atoms (R/S): | |||
| 3D Volume/Å3: | |||
| Sum Formula: | C32H38N4O6 | ||
| M / g/mol: | 574.66732 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags: aromatic, typical guest
- Name: N1,N3-bis(2,6-diisopropyl-4-nitrophenyl)isophthalamide
- Preferred Abbreviation: N,N-bis(diisopropyl-4-nitrophenyl)isophthalamide
- IUPAC Name:
- CAS:
- CID: -319
- InChiKey: HMYBRVYPSRMICV-UHFFFAOYSA-N
- InChi: InChI=1S/C32H38N4O6/c1-17(2)25-13-23(35(39)40)14-26(18(3)4)29(25)33-31(37)21-10-9-11-22(12-21)32(38)34-30-27(19(5)6)15-24(36(41)42)16-28(30)20(7)8/h9-20H,1-8H3,(H,33,37)(H,34,38)
- CanoSmiles: CC(c1cc(cc(c1NC(=O)c1cccc(c1)C(=O)Nc1c(cc(cc1C(C)C)[N+](=O)[O-])C(C)C)C(C)C)[N+](=O)[O-])C
- IsoSmiles: O=C(NC1=C(C(C)C)C=C([N+]([O-])=O)C=C1C(C)C)C2=CC=CC(C(NC3=C(C(C)C)C=C([N+]([O-])=O)C=C3C(C)C)=O)=C2
