C244H162F6N16O2S4 — CID 159935699
7-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N,N-bis[4-(4-methoxyphenyl)phenyl]-2,1,3-benzothiadiazol-4-amine;7-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N,N-bis(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine;7-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]-N-phenyl-2,1,3-benzothiadiazol-4-amine;7-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-[4-(trifluoromethyl)phenyl]-N-[4-[4-(trifluoromethyl)phenyl]phenyl]-2,1,3-benzothiadiazol-4-amine (PubChem CID 159935699) has the molecular formula C244H162F6N16O2S4 and a molecular weight of 3592.35 g/mol. Its IUPAC name is 7-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N,N-bis[4-(4-methoxyphenyl)phenyl]-2,1,3-benzothiadiazol-4-amine;7-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N,N-bis(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine;7-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]-N-phenyl-2,1,3-benzothiadiazol-4-amine;7-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-[4-(trifluoromethyl)phenyl]-N-[4-[4-(trifluoromethyl)phenyl]phenyl]-2,1,3-benzothiadiazol-4-amine.
| Compound Name | 7-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N,N-bis[4-(4-methoxyphenyl)phenyl]-2,1,3-benzothiadiazol-4-amine;7-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N,N-bis(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine;7-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]-N-phenyl-2,1,3-benzothiadiazol-4-amine;7-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-[4-(trifluoromethyl)phenyl]-N-[4-[4-(trifluoromethyl)phenyl]phenyl]-2,1,3-benzothiadiazol-4-amine |
|---|---|
| PubChem CID | 159935699 |
| Molecular Formula | C244H162F6N16O2S4 |
| Molecular Weight | 3592.35 g/mol |
| Exact Mass | 3589.19 |
| IUPAC Name | 7-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N,N-bis[4-(4-methoxyphenyl)phenyl]-2,1,3-benzothiadiazol-4-amine;7-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N,N-bis(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine;7-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]-N-phenyl-2,1,3-benzothiadiazol-4-amine;7-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-[4-(trifluoromethyl)phenyl]-N-[4-[4-(trifluoromethyl)phenyl]phenyl]-2,1,3-benzothiadiazol-4-amine |
| SMILES | COc1ccc(-c2ccc(N(c3ccc(-c4ccc(OC)cc4)cc3)c3ccc(-c4ccc(-n5c6ccc(-c7ccccc7)cc6c6cc(-c7ccccc7)ccc65)cc4)c4nsnc34)cc2)cc1.FC(F)(F)c1ccc(-c2ccc(N(c3ccc(C(F)(F)F)cc3)c3ccc(-c4ccc(-n5c6ccc(-c7ccccc7)cc6c6cc(-c7ccccc7)ccc65)cc4)c4nsnc34)cc2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(-n6c7ccc(-c8ccccc8)cc7c7cc(-c8ccccc8)ccc76)cc5)c5nsnc45)cc3)c2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-n5c6ccc(-c7ccccc7)cc6c6cc(-c7ccccc7)ccc65)cc4)c4nsnc34)cc2)cc1 |
| InChI | InChI=1S/C66H44N4S.C62H44N4O2S.C60H40N4S.C56H34F6N4S/c1-6-16-45(17-7-1)51-30-37-62-60(43-51)61-44-52(46-18-8-2-9-19-46)31-38-63(61)70(62)58-34-28-50(29-35-58)59-36-39-64(66-65(59)67-71-68-66)69(56-24-14-5-15-25-56)57-32-26-49(27-33-57)55-41-53(47-20-10-3-11-21-47)40-54(42-55)48-22-12-4-13-23-48;1-67-53-31-19-45(20-32-53)43-13-25-50(26-14-43)65(51-27-15-44(16-28-51)46-21-33-54(68-2)34-22-46)60-38-35-55(61-62(60)64-69-63-61)47-17-29-52(30-18-47)66-58-36-23-48(41-9-5-3-6-10-41)39-56(58)57-40-49(24-37-59(57)66)42-11-7-4-8-12-42;1-5-13-41(14-6-1)45-21-29-50(30-22-45)63(51-31-23-46(24-32-51)42-15-7-2-8-16-42)58-38-35-53(59-60(58)62-65-61-59)47-25-33-52(34-26-47)64-56-36-27-48(43-17-9-3-10-18-43)39-54(56)55-40-49(28-37-57(55)64)44-19-11-4-12-20-44;57-55(58,59)42-19-11-37(12-20-42)38-13-23-44(24-14-38)65(45-27-21-43(22-28-45)56(60,61)62)52-32-29-47(53-54(52)64-67-63-53)39-15-25-46(26-16-39)66-50-30-17-40(35-7-3-1-4-8-35)33-48(50)49-34-41(18-31-51(49)66)36-9-5-2-6-10-36/h1-44H;3-40H,1-2H3;1-40H;1-34H |
| InChIKey | OAFLOLJIDZZQNJ-UHFFFAOYSA-N |
| XLogP | 68.43 |
| TPSA | 154.26 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 38 |
| Heavy Atoms | 272 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3592.35 |
| LogP ≤ 5 | 68.43 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 22 |