C195H120N18OS4 — CID 157244793
11-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]carbazole;5-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-12,12-dimethylindeno[1,2-c]carbazole;11-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-b]carbazole;5-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenylindolo[3,2-c]carbazole (PubChem CID 157244793) has the molecular formula C195H120N18OS4 and a molecular weight of 2859.50 g/mol. Its IUPAC name is 11-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]carbazole;5-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-12,12-dimethylindeno[1,2-c]carbazole;11-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-b]carbazole;5-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenylindolo[3,2-c]carbazole.
| Compound Name | 11-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]carbazole;5-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-12,12-dimethylindeno[1,2-c]carbazole;11-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-b]carbazole;5-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenylindolo[3,2-c]carbazole |
|---|---|
| PubChem CID | 157244793 |
| Molecular Formula | C195H120N18OS4 |
| Molecular Weight | 2859.50 g/mol |
| Exact Mass | 2856.88 |
| IUPAC Name | 11-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]carbazole;5-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-12,12-dimethylindeno[1,2-c]carbazole;11-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-b]carbazole;5-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenylindolo[3,2-c]carbazole |
| SMILES | CC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1nc(-c2cccc(-c3ccccc3)c2)nc(-c2cccc3c2sc2ccccc23)n1.c1ccc(-c2cccc(-c3nc(-c4cccc5c4sc4ccccc45)nc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4cccc5c4sc4ccccc45)nc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4ccccc4)n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4cccc5c4sc4ccccc45)nc(-n4c5ccccc5c5cc6oc7ccccc7c6cc54)n3)c2)cc1 |
| InChI | InChI=1S/2C51H31N5S.C48H32N4S.C45H26N4OS/c1-3-15-32(16-4-1)33-17-13-18-34(31-33)49-52-50(41-25-14-24-39-37-22-9-12-28-45(37)57-48(39)41)54-51(53-49)56-43-27-11-8-23-40(43)46-44(56)30-29-38-36-21-7-10-26-42(36)55(47(38)46)35-19-5-2-6-20-35;1-3-15-32(16-4-1)33-17-13-18-34(29-33)49-52-50(40-25-14-24-39-38-23-9-12-28-47(38)57-48(39)40)54-51(53-49)56-44-27-11-8-22-37(44)42-30-45-41(31-46(42)56)36-21-7-10-26-43(36)55(45)35-19-5-2-6-20-35;1-48(2)38-23-9-6-18-32(38)34-26-27-40-42(43(34)48)36-20-7-10-24-39(36)52(40)47-50-45(31-17-12-16-30(28-31)29-14-4-3-5-15-29)49-46(51-47)37-22-13-21-35-33-19-8-11-25-41(33)53-44(35)37;1-2-12-27(13-3-1)28-14-10-15-29(24-28)43-46-44(34-20-11-19-33-32-18-6-9-23-41(32)51-42(33)34)48-45(47-43)49-37-21-7-4-16-30(37)35-26-40-36(25-38(35)49)31-17-5-8-22-39(31)50-40/h2*1-31H;3-28H,1-2H3;1-26H |
| InChIKey | AVPZVQXCJCWEPR-UHFFFAOYSA-N |
| XLogP | 51.75 |
| TPSA | 197.40 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 218 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2859.50 |
| LogP ≤ 5 | 51.75 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 23 |