4b1,5,10,15-Tetraazanaphtho[1,2,3-gh]tetraphene-2,3,7,8,12,13-hexaol CAS#: 148494-98-8; ChemWhat Code: 1411622
Identification
| Product Name | 4b1,5,10,15-Tetraazanaphtho[1,2,3-gh]tetraphene-2,3,7,8,12,13-hexaol |
| IUPAC Name | 4,12,20,21-tetrahydroxy-8,16,24,25-tetrazahexacyclo[15.7.1.02,7.09,25.010,15.018,23]pentacosa-1,3,6,9,11,14,16,18,20,22-decaene-5,13-dione |
| Molecular Structure | ![structure of 4b1,5,10,15-Tetraazanaphtho[1,2,3-gh]tetraphene-2,3,7,8,12,13-hexaol CAS 148494-98-8](https://www.chemwhat.com/wp-content/uploads/2023/06/structure-of-4b151015-Tetraazanaphtho123-ghtetraphene-23781213-hexaol-CAS-148494-98-8.png) |
| CAS Registry Number | 148494-98-8 |
| Synonyms | 4a,14b-Dihydro-4b1,5,10,15-tetraazanaphtho[1,2,3-gh]tetraphene-2,3,7,8,12,13-hexaol 148494-98-8 F82841 4b1,5,10,15-Tetraazanaphtho[1,2,3-gh]tetraphene-2,3,7,8,12,13-hexaol |
| Molecular Formula | C21H12N4O6 |
| Molecular Weight | 416.3 |
| InChI | InChI=1S/C21H12N4O6/c26-13-1-7-10(4-16(13)29)22-20-9-3-15(28)18(31)6-12(9)24-21-8-2-14(27)17(30)5-11(8)23-19(7)25(20)21/h1-6,22-23,26-28,30H |
| InChI Key | GPGQPWRGFWZUIF-UHFFFAOYSA-N |
| Canonical SMILES | C1=C2C(=CC(=C1O)O)NC3=C4C=C(C(=O)C=C4NC5=C6C=C(C(=O)C=C6N=C2N35)O)O |
Physical Data
No data available
Spectra
| Description (NMR Spectroscopy) | Nucleus (NMR Spectroscopy) | Solvents (NMR Spectroscopy) | Frequency (NMR Spectroscopy), MHz |
| Chemical shifts, Spectrum | 1H | dimethylsulfoxide-d6 | 400 |
| Chemical shifts, Spectrum | 13C | dimethylsulfoxide-d6 | |
| Chemical shifts | 1H | tetradeuteriomethanol |
| 4b1,5,10,15-Tetraazanaphtho[1,2,3-gh]tetraphene-2,3,7,8,12,13-hexaol CAS:# 148494-98-8 NMR | ![NMR of 4b1,5,10,15-Tetraazanaphtho[1,2,3-gh]tetraphene-2,3,7,8,12,13-hexaol CAS 148494-98-8](https://www.chemwhat.com/wp-content/uploads/2023/06/NMR-of-4b151015-Tetraazanaphtho123-ghtetraphene-23781213-hexaol-CAS-148494-98-8.png) |
| Description (IR Spectroscopy) |
| ATR (attenuated total reflectance), Spectrum |
| Bands, Spectrum |
Route of Synthesis (ROS)
![Route of Synthesis (ROS) of 4b1,5,10,15-Tetraazanaphtho[1,2,3-gh]tetraphene-2,3,7,8,12,13-hexaol CAS148494-98-8](https://www.chemwhat.com/wp-content/uploads/2023/06/Route-of-Synthesis-ROS-of-4b151015-Tetraazanaphtho123-ghtetraphene-23781213-hexaol-CAS148494-98-8.png)
Route of Synthesis (ROS) of 4b1,5,10,15-Tetraazanaphtho[1,2,3-gh]tetraphene-2,3,7,8,12,13-hexaol CAS148494-98-8
| Conditions | Yield |
| With potassium hydroxide In dimethyl sulfoxide at 50℃; for 4h; | 35% |
Safety and Hazards
No data available
Other Data
| Transportation | Under room temperature away from light |
| HS Code | |
| Storage | Under room temperature away from light |
| Shelf Life | 1 year |
| Market Price |
| Druglikeness | |
| Lipinski rules component | |
| Molecular Weight | 416.349 |
| logP | 3.037 |
| HBA | 4 |
| HBD | 6 |
| Matching Lipinski Rules | 3 |
| Veber rules component | |
| Polar Surface Area (PSA) | 161.7 |
| Rotatable Bond (RotB) | 0 |
| Matching Veber Rules | 1 |
| Use Pattern |
| 4b1,5,10,15-Tetraazanaphtho[1,2,3-gh]tetraphene-2,3,7,8,12,13-hexaol CAS:# 148494-98-8 is used in a electronic chemicals. |
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| Warshel Chemical Ltd | http://www.warshel.com/ |
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