C188H112N16O2S4 — CID 159476433
2-[4-[2-(3-carbazol-9-yldibenzothiophen-4-yl)carbazol-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole;2-[4-[3-(3-carbazol-9-yldibenzothiophen-4-yl)carbazol-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole;2-(3-carbazol-9-yldibenzothiophen-4-yl)-9-(1,5-naphthyridin-3-yl)carbazole;3-(3-carbazol-9-yldibenzothiophen-4-yl)-9-(1,5-naphthyridin-3-yl)carbazole (PubChem CID 159476433) has the molecular formula C188H112N16O2S4 and a molecular weight of 2755.34 g/mol. Its IUPAC name is 2-[4-[2-(3-carbazol-9-yldibenzothiophen-4-yl)carbazol-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole;2-[4-[3-(3-carbazol-9-yldibenzothiophen-4-yl)carbazol-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole;2-(3-carbazol-9-yldibenzothiophen-4-yl)-9-(1,5-naphthyridin-3-yl)carbazole;3-(3-carbazol-9-yldibenzothiophen-4-yl)-9-(1,5-naphthyridin-3-yl)carbazole.
| Compound Name | 2-[4-[2-(3-carbazol-9-yldibenzothiophen-4-yl)carbazol-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole;2-[4-[3-(3-carbazol-9-yldibenzothiophen-4-yl)carbazol-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole;2-(3-carbazol-9-yldibenzothiophen-4-yl)-9-(1,5-naphthyridin-3-yl)carbazole;3-(3-carbazol-9-yldibenzothiophen-4-yl)-9-(1,5-naphthyridin-3-yl)carbazole |
|---|---|
| PubChem CID | 159476433 |
| Molecular Formula | C188H112N16O2S4 |
| Molecular Weight | 2755.34 g/mol |
| Exact Mass | 2752.80 |
| IUPAC Name | 2-[4-[2-(3-carbazol-9-yldibenzothiophen-4-yl)carbazol-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole;2-[4-[3-(3-carbazol-9-yldibenzothiophen-4-yl)carbazol-9-yl]phenyl]-5-phenyl-1,3,4-oxadiazole;2-(3-carbazol-9-yldibenzothiophen-4-yl)-9-(1,5-naphthyridin-3-yl)carbazole;3-(3-carbazol-9-yldibenzothiophen-4-yl)-9-(1,5-naphthyridin-3-yl)carbazole |
| SMILES | c1ccc(-c2nnc(-c3ccc(-n4c5ccccc5c5cc(-c6c(-n7c8ccccc8c8ccccc87)ccc7c6sc6ccccc67)ccc54)cc3)o2)cc1.c1ccc(-c2nnc(-c3ccc(-n4c5ccccc5c5ccc(-c6c(-n7c8ccccc8c8ccccc87)ccc7c6sc6ccccc67)cc54)cc3)o2)cc1.c1cnc2cc(-n3c4ccccc4c4cc(-c5c(-n6c7ccccc7c7ccccc76)ccc6c5sc5ccccc56)ccc43)cnc2c1.c1cnc2cc(-n3c4ccccc4c4ccc(-c5c(-n6c7ccccc7c7ccccc76)ccc6c5sc5ccccc56)cc43)cnc2c1 |
| InChI | InChI=1S/2C50H30N4OS.2C44H26N4S/c1-2-12-31(13-3-1)49-51-52-50(55-49)32-22-25-34(26-23-32)53-41-18-8-6-16-37(41)40-30-33(24-28-44(40)53)47-45(29-27-39-38-17-7-11-21-46(38)56-48(39)47)54-42-19-9-4-14-35(42)36-15-5-10-20-43(36)54;1-2-12-31(13-3-1)49-51-52-50(55-49)32-22-25-34(26-23-32)53-41-18-8-4-16-37(41)38-27-24-33(30-45(38)53)47-44(29-28-40-39-17-7-11-21-46(39)56-48(40)47)54-42-19-9-5-14-35(42)36-15-6-10-20-43(36)54;1-6-16-38-29(10-1)30-11-2-7-17-39(30)48(38)41-22-20-33-32-13-4-8-18-42(32)49-44(33)43(41)27-19-21-40-34(24-27)31-12-3-5-15-37(31)47(40)28-25-36-35(46-26-28)14-9-23-45-36;1-5-15-37-31(12-1)32-20-19-27(24-41(32)47(37)28-25-36-35(46-26-28)14-9-23-45-36)43-40(22-21-34-33-13-4-8-18-42(33)49-44(34)43)48-38-16-6-2-10-29(38)30-11-3-7-17-39(30)48/h2*1-30H;2*1-26H |
| InChIKey | LWLCZVHCHMIDFI-UHFFFAOYSA-N |
| XLogP | 50.98 |
| TPSA | 168.84 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 210 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2755.34 |
| LogP ≤ 5 | 50.98 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 22 |