C195H119N17OS5 — CID 160865913
3-(9,9-dimethylfluoren-2-yl)-9-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]carbazole;12-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-[1]benzofuro[2,3-a]carbazole;12-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-[1]benzothiolo[2,3-a]carbazole;12-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-11-phenylindolo[2,3-a]carbazole (PubChem CID 160865913) has the molecular formula C195H119N17OS5 and a molecular weight of 2876.55 g/mol. Its IUPAC name is 3-(9,9-dimethylfluoren-2-yl)-9-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]carbazole;12-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-[1]benzofuro[2,3-a]carbazole;12-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-[1]benzothiolo[2,3-a]carbazole;12-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-11-phenylindolo[2,3-a]carbazole.
| Compound Name | 3-(9,9-dimethylfluoren-2-yl)-9-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]carbazole;12-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-[1]benzofuro[2,3-a]carbazole;12-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-[1]benzothiolo[2,3-a]carbazole;12-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-11-phenylindolo[2,3-a]carbazole |
|---|---|
| PubChem CID | 160865913 |
| Molecular Formula | C195H119N17OS5 |
| Molecular Weight | 2876.55 g/mol |
| Exact Mass | 2873.84 |
| IUPAC Name | 3-(9,9-dimethylfluoren-2-yl)-9-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]carbazole;12-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-[1]benzofuro[2,3-a]carbazole;12-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-[1]benzothiolo[2,3-a]carbazole;12-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-11-phenylindolo[2,3-a]carbazole |
| SMILES | CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4c(c3)sc3ccccc34)cc21.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)cc4sc5ccccc5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5ccc6c7ccccc7oc6c54)cc4sc5ccccc5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5ccc6c7ccccc7sc6c54)cc4sc5ccccc5c34)n2)cc1 |
| InChI | InChI=1S/C54H36N4S.C51H31N5S.C45H26N4OS.C45H26N4S2/c1-54(2)44-22-12-9-19-38(44)39-27-25-36(30-45(39)54)35-26-28-47-42(29-35)40-20-10-13-23-46(40)58(47)37-31-43(50-41-21-11-14-24-48(41)59-49(50)32-37)53-56-51(33-15-5-3-6-16-33)55-52(57-53)34-17-7-4-8-18-34;1-4-16-32(17-5-1)49-52-50(33-18-6-2-7-19-33)54-51(53-49)41-30-35(31-45-46(41)40-24-12-15-27-44(40)57-45)56-43-26-14-11-23-37(43)39-29-28-38-36-22-10-13-25-42(36)55(47(38)48(39)56)34-20-8-3-9-21-34;1-3-13-27(14-4-1)43-46-44(28-15-5-2-6-16-28)48-45(47-43)35-25-29(26-39-40(35)34-19-9-12-22-38(34)51-39)49-36-20-10-7-17-30(36)32-23-24-33-31-18-8-11-21-37(31)50-42(33)41(32)49;1-3-13-27(14-4-1)43-46-44(28-15-5-2-6-16-28)48-45(47-43)35-25-29(26-39-40(35)34-19-9-12-22-38(34)50-39)49-36-20-10-7-17-30(36)32-23-24-33-31-18-8-11-21-37(31)51-42(33)41(32)49/h3-32H,1-2H3;1-31H;2*1-26H |
| InChIKey | SLCPQKWPPAYIHH-UHFFFAOYSA-N |
| XLogP | 52.69 |
| TPSA | 192.47 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 218 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2876.55 |
| LogP ≤ 5 | 52.69 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 23 |