C213H153F3N2O9S2 — CID 159179849
(4-methoxyphenyl)-[4-[4-[4-[4-[4-(4-methylphenyl)phenyl]-2,3,5,6-tetraphenylphenyl]phenyl]phenoxy]phenyl]methanone;1-[4-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]phenyl]-4-[4-(4-methylphenyl)phenyl]-2,3,5,6-tetraphenylbenzene;4-[4-methoxy-3-(trifluoromethyl)phenyl]-7-[3-methyl-4-[4-[4-[4-[4-(4-methylphenyl)phenyl]-2,3,5,6-tetraphenylphenyl]phenyl]phenoxy]phenyl]-2,1,3-benzothiadiazole (PubChem CID 159179849) has the molecular formula C213H153F3N2O9S2 and a molecular weight of 3005.70 g/mol. Its IUPAC name is (4-methoxyphenyl)-[4-[4-[4-[4-[4-(4-methylphenyl)phenyl]-2,3,5,6-tetraphenylphenyl]phenyl]phenoxy]phenyl]methanone;1-[4-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]phenyl]-4-[4-(4-methylphenyl)phenyl]-2,3,5,6-tetraphenylbenzene;4-[4-methoxy-3-(trifluoromethyl)phenyl]-7-[3-methyl-4-[4-[4-[4-[4-(4-methylphenyl)phenyl]-2,3,5,6-tetraphenylphenyl]phenyl]phenoxy]phenyl]-2,1,3-benzothiadiazole.
| Compound Name | (4-methoxyphenyl)-[4-[4-[4-[4-[4-(4-methylphenyl)phenyl]-2,3,5,6-tetraphenylphenyl]phenyl]phenoxy]phenyl]methanone;1-[4-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]phenyl]-4-[4-(4-methylphenyl)phenyl]-2,3,5,6-tetraphenylbenzene;4-[4-methoxy-3-(trifluoromethyl)phenyl]-7-[3-methyl-4-[4-[4-[4-[4-(4-methylphenyl)phenyl]-2,3,5,6-tetraphenylphenyl]phenyl]phenoxy]phenyl]-2,1,3-benzothiadiazole |
|---|---|
| PubChem CID | 159179849 |
| Molecular Formula | C213H153F3N2O9S2 |
| Molecular Weight | 3005.70 g/mol |
| Exact Mass | 3003.10 |
| IUPAC Name | (4-methoxyphenyl)-[4-[4-[4-[4-[4-(4-methylphenyl)phenyl]-2,3,5,6-tetraphenylphenyl]phenyl]phenoxy]phenyl]methanone;1-[4-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]phenyl]-4-[4-(4-methylphenyl)phenyl]-2,3,5,6-tetraphenylbenzene;4-[4-methoxy-3-(trifluoromethyl)phenyl]-7-[3-methyl-4-[4-[4-[4-[4-(4-methylphenyl)phenyl]-2,3,5,6-tetraphenylphenyl]phenyl]phenoxy]phenyl]-2,1,3-benzothiadiazole |
| SMILES | COc1ccc(-c2ccc(-c3ccc(Oc4ccc(-c5ccc(-c6c(-c7ccccc7)c(-c7ccccc7)c(-c7ccc(-c8ccc(C)cc8)cc7)c(-c7ccccc7)c6-c6ccccc6)cc5)cc4)c(C)c3)c3nsnc23)cc1C(F)(F)F.COc1ccc(C(=O)c2ccc(Oc3ccc(-c4ccc(-c5c(-c6ccccc6)c(-c6ccccc6)c(-c6ccc(-c7ccc(C)cc7)cc6)c(-c6ccccc6)c5-c5ccccc5)cc4)cc3)cc2)cc1.COc1ccc(S(=O)(=O)c2ccc(Oc3ccc(-c4ccc(-c5c(-c6ccccc6)c(-c6ccccc6)c(-c6ccc(-c7ccc(C)cc7)cc6)c(-c6ccccc6)c5-c5ccccc5)cc4)cc3)cc2)cc1 |
| InChI | InChI=1S/C76H53F3N2O2S.C69H50O3.C68H50O4S/c1-48-24-26-50(27-25-48)51-28-32-58(33-29-51)72-68(54-16-8-4-9-17-54)70(56-20-12-6-13-21-56)73(71(57-22-14-7-15-23-57)69(72)55-18-10-5-11-19-55)59-34-30-52(31-35-59)53-36-40-62(41-37-53)83-66-44-38-60(46-49(66)2)63-42-43-64(75-74(63)80-84-81-75)61-39-45-67(82-3)65(47-61)76(77,78)79;1-47-23-25-48(26-24-47)49-27-31-56(32-28-49)67-63(52-15-7-3-8-16-52)65(54-19-11-5-12-20-54)68(66(55-21-13-6-14-22-55)64(67)53-17-9-4-10-18-53)57-33-29-50(30-34-57)51-35-43-61(44-36-51)72-62-45-39-59(40-46-62)69(70)58-37-41-60(71-2)42-38-58;1-47-23-25-48(26-24-47)49-27-31-56(32-28-49)67-63(52-15-7-3-8-16-52)65(54-19-11-5-12-20-54)68(66(55-21-13-6-14-22-55)64(67)53-17-9-4-10-18-53)57-33-29-50(30-34-57)51-35-37-59(38-36-51)72-60-41-45-62(46-42-60)73(69,70)61-43-39-58(71-2)40-44-61/h4-47H,1-3H3;3-46H,1-2H3;3-46H,1-2H3 |
| InChIKey | KMTAYWCZAMTHHG-UHFFFAOYSA-N |
| XLogP | 58.13 |
| TPSA | 132.37 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 39 |
| Heavy Atoms | 229 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3005.70 |
| LogP ≤ 5 | 58.13 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |