C301H195F6N17S4 — CID 157390328
7-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-N,N-bis[4-(4-fluorophenyl)phenyl]-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-N-(4-phenylphenyl)-N-[4-(4-tritylphenyl)phenyl]-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]-N,N-bis(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]-N-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-2,1,3-benzothiadiazol-4-amine (PubChem CID 157390328) has the molecular formula C301H195F6N17S4 and a molecular weight of 4292.25 g/mol. Its IUPAC name is 7-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-N,N-bis[4-(4-fluorophenyl)phenyl]-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-N-(4-phenylphenyl)-N-[4-(4-tritylphenyl)phenyl]-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]-N,N-bis(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]-N-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-2,1,3-benzothiadiazol-4-amine.
| Compound Name | 7-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-N,N-bis[4-(4-fluorophenyl)phenyl]-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-N-(4-phenylphenyl)-N-[4-(4-tritylphenyl)phenyl]-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]-N,N-bis(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]-N-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-2,1,3-benzothiadiazol-4-amine |
|---|---|
| PubChem CID | 157390328 |
| Molecular Formula | C301H195F6N17S4 |
| Molecular Weight | 4292.25 g/mol |
| Exact Mass | 4288.46 |
| IUPAC Name | 7-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-N,N-bis[4-(4-fluorophenyl)phenyl]-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-N-(4-phenylphenyl)-N-[4-(4-tritylphenyl)phenyl]-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]-N,N-bis(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]-N-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-2,1,3-benzothiadiazol-4-amine |
| SMILES | Fc1ccc(-c2ccc(N(c3ccc(-c4ccc(F)cc4)cc3)c3ccc(-c4ccc(-n5c6ccc(-c7ccc(F)cc7)cc6c6cc(-c7ccc(F)cc7)ccc65)cc4)c4nsnc34)cc2)cc1.Fc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(F)cc4)ccc2n3-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc(C(c6ccccc6)(c6ccccc6)c6ccccc6)cc5)cc4)c4nsnc34)cc2)cc1.c1ccc(-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc(-c6ccccc6)cc5)ccc3n4-c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(-c7ccccc7)cc6)cc5)c5nsnc45)cc3)cc2)cc1.c1ccc(-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc(-c6ccccc6)cc5)ccc3n4-c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)c5nsnc45)cc3)cc2)cc1 |
| InChI | InChI=1S/C90H59N5S.C79H52F2N4S.C72H48N4S.C60H36F4N4S/c1-5-15-60(16-6-1)64-25-29-68(30-26-64)73-42-54-86-82(58-73)83-59-74(69-31-27-65(28-32-69)61-17-7-2-8-18-61)43-55-87(83)95(86)78-50-39-71(40-51-78)79-52-56-88(90-89(79)91-96-92-90)93(75-44-33-66(34-45-75)62-19-9-3-10-20-62)76-46-37-70(38-47-76)72-41-53-85-81(57-72)80-23-13-14-24-84(80)94(85)77-48-35-67(36-49-77)63-21-11-4-12-22-63;80-66-37-23-57(24-38-66)60-33-48-74-72(51-60)73-52-61(58-25-39-67(81)40-26-58)34-49-75(73)85(74)70-45-31-59(32-46-70)71-47-50-76(78-77(71)82-86-83-78)84(68-41-27-55(28-42-68)53-13-5-1-6-14-53)69-43-29-56(30-44-69)54-21-35-65(36-22-54)79(62-15-7-2-8-16-62,63-17-9-3-10-18-63)64-19-11-4-12-20-64;1-5-13-49(14-6-1)53-21-25-57(26-22-53)60-35-44-68-66(47-60)67-48-61(58-27-23-54(24-28-58)50-15-7-2-8-16-50)36-45-69(67)76(68)64-41-33-59(34-42-64)65-43-46-70(72-71(65)73-77-74-72)75(62-37-29-55(30-38-62)51-17-9-3-10-18-51)63-39-31-56(32-40-63)52-19-11-4-12-20-52;61-46-17-1-37(2-18-46)39-9-25-50(26-10-39)67(51-27-11-40(12-28-51)38-3-19-47(62)20-4-38)58-34-31-53(59-60(58)66-69-65-59)43-13-29-52(30-14-43)68-56-32-15-44(41-5-21-48(63)22-6-41)35-54(56)55-36-45(16-33-57(55)68)42-7-23-49(64)24-8-42/h1-59H;1-52H;1-48H;1-36H |
| InChIKey | BLXVAMBOHJXKAU-UHFFFAOYSA-N |
| XLogP | 83.02 |
| TPSA | 140.73 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 46 |
| Heavy Atoms | 328 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4292.25 |
| LogP ≤ 5 | 83.02 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 21 |