DBzA, 9,10-Bis[4-(6-Methylbenzothiazol-2-yl)phenyl]anthracene CAS#: 850018-19-8; ChemWhat Code: 1246513
Identification
Product Name | DBzA, 9,10-Bis[4-(6-Methylbenzothiazol-2-yl)phenyl]anthracene |
IUPAC Name | 6-methyl-2-[4-[10-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]anthracen-9-yl]phenyl]-1,3-benzothiazole |
Molecular Structure | |
CAS Registry Number | 850018-19-8 |
EINECS Number | No data available |
MDL Number | No data available |
Beilstein Registry Number | No data available |
Synonyms | 6-methaneyl-2-(4-(9-(4-(6-methylbenzo[d]thiazol-2-yl)phenyl)anthracen-10-yl)phenyl)benzo[d]thiazole6-methyl-2-(4-(9-(4-(6-methylbenzo[d]thiazole-2-yl)phenyl)anthracene-10-yl)phenyl)-benzo[d]thiazole6-methyl-2-(4-(9-(4-(6-methylbenzo[d]thiazol-2-yl)phenyl)anthracene-10-yl)phenyl)benzo[d]thiazole6-methyl-2-(4-(9-(4-(6-methylbenzo[d]thiazole-2-yl)phenyl)anthracen-10-yl)phenyl)benzo[d]thiazole6-methyl-2-(4-(9-(4-(6-methylbenzo[d]thiazol-2-yl)phenyl)anthracen-10-yl)phenyl)benzo[d]thiazole2,2′-(9,10-anthracenediyldi-4,1-phenylene)di[6-methaneyl-benzothiazole]2,2′-(9,10-anthracenediyl-di-4,1-phenylene)bis[6-methyl-benzothiazole] |
Molecular Formula | C42H28N2S2 |
Molecular Weight | 624.820 |
InChI | InChI=1S/C42H28N2S2/c1-25-11-21-35-37(23-25)45-41(43-35)29-17-13-27(14-18-29)39-31-7-3-5-9-33(31)40(34-10-6-4-8-32(34)39)28-15-19-30(20-16-28)42-44-36-22-12-26(2)24-38(36)46-42/h3-24H,1-2H3 |
InChI Key | UBFXCBRNQSHADT-UHFFFAOYSA-N |
Canonical SMILES | Cc1ccc2nc(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6nc7ccc(C)cc7s6)cc5)c5ccccc45)cc3)sc2c1 |
Patent Information |
No data available |
Physical Data
Appearance | White powder |
Solubility | No data available |
Flash Point | No data available |
Refractive index | No data available |
Sensitivity | No data available |
Spectra
No data available |
Route of Synthesis (ROS)
No data available |
Safety and Hazards
GHS Hazard Statements | Not Classified |
Other Data
Transportation | NONH for all modes of transport |
Under the room temperature and away from light | |
HS Code | No data available |
Storage | Under the room temperature and away from light |
Shelf Life | 2 years |
Market Price | USD |
Druglikeness | |
Lipinski rules component | |
Molecular Weight | 624.83 |
logP | 12.272 |
HBA | 2 |
HBD | 0 |
Matching Lipinski Rules | 2 |
Veber rules component | |
Polar Surface Area (PSA) | 82.26 |
Rotatable Bond (RotB) | 4 |
Matching Veber Rules | 2 |
Use Pattern |
3-Aminopyridine CAS#: 462-08-8 is an intermediate in pesticides and dyes; pesticide raw materials; analytical reagents. |
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