Nile Red | SBID = 592 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 41.9 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 3.8 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 4.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 250.1 | ||
| Sum Formula: | C20H18N2O2 | ||
| M / g/mol: | 318.4 | ||
| Complexity: | 564.0 | ||
| Number of Conformers: | 3.0 |
Identifiers
- Tags:
- Name: Nile Red
- Preferred Abbreviation: Nile Red
- IUPAC Name: 9-(diethylamino)benzo[a]phenoxazin-5-one
- CAS: 7385-67-3
- CID: 65182
- InChiKey: VOFUROIFQGPCGE-UHFFFAOYSA-N
- InChi: InChI=1S/C20H18N2O2/c1-3-22(4-2)13-9-10-16-18(11-13)24-19-12-17(23)14-7-5-6-8-15(14)20(19)21-16/h5-12H,3-4H2,1-2H3
- CanoSmiles: CCN(CC)C1=CC2=C(C=C1)N=C3C4=CC=CC=C4C(=O)C=C3O2
- IsoSmiles: CCN(CC)C1=CC2=C(C=C1)N=C3C4=CC=CC=C4C(=O)C=C3O2
