C247H153N21S5 — CID 165088505
2-dibenzothiophen-4-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]carbazole;2-dibenzothiophen-4-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylcarbazole;2-dibenzothiophen-4-yl-9-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]carbazole;2-dibenzothiophen-4-yl-9-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole;2-(8-phenyldibenzothiophen-4-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole (PubChem CID 165088505) has the molecular formula C247H153N21S5 and a molecular weight of 3575.42 g/mol. Its IUPAC name is 2-dibenzothiophen-4-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]carbazole;2-dibenzothiophen-4-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylcarbazole;2-dibenzothiophen-4-yl-9-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]carbazole;2-dibenzothiophen-4-yl-9-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole;2-(8-phenyldibenzothiophen-4-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole.
| Compound Name | 2-dibenzothiophen-4-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]carbazole;2-dibenzothiophen-4-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylcarbazole;2-dibenzothiophen-4-yl-9-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]carbazole;2-dibenzothiophen-4-yl-9-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole;2-(8-phenyldibenzothiophen-4-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole |
|---|---|
| PubChem CID | 165088505 |
| Molecular Formula | C247H153N21S5 |
| Molecular Weight | 3575.42 g/mol |
| Exact Mass | 3572.12 |
| IUPAC Name | 2-dibenzothiophen-4-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]carbazole;2-dibenzothiophen-4-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylcarbazole;2-dibenzothiophen-4-yl-9-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]carbazole;2-dibenzothiophen-4-yl-9-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole;2-(8-phenyldibenzothiophen-4-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole |
| SMILES | c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5ccc(-c6cccc7c6sc6ccc(-c8ccccc8)cc67)cc54)n3)cc2)cc1.c1ccc(-c2ccc3c4ccc(-c5cccc6c5sc5ccccc56)cc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4-n4c5ccccc5c5ccc(-c6cccc7c6sc6ccccc67)cc54)n3)c2)cc1.c1ccc(-c2nc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)nc(-n3c4ccccc4c4ccc(-c5cccc6c5sc5ccccc56)cc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc(-c6cccc7c6sc6ccccc67)cc54)c4ccccc34)n2)cc1 |
| InChI | InChI=1S/C51H31N5S.2C51H32N4S.C49H30N4S.C45H28N4S/c1-3-14-32(15-4-1)49-52-50(34-27-29-39-37-18-7-10-23-43(37)55(45(39)31-34)35-16-5-2-6-17-35)54-51(53-49)56-44-24-11-8-19-38(44)40-28-26-33(30-46(40)56)36-21-13-22-42-41-20-9-12-25-47(41)57-48(36)42;1-4-13-33(14-5-1)35-23-25-37(26-24-35)50-52-49(36-17-8-3-9-18-36)53-51(54-50)55-45-22-11-10-19-41(45)42-29-27-39(32-46(42)55)40-20-12-21-43-44-31-38(34-15-6-2-7-16-34)28-30-47(44)56-48(40)43;1-3-15-33(16-4-1)35-19-13-20-37(31-35)50-52-49(34-17-5-2-6-18-34)53-51(54-50)43-23-8-11-27-45(43)55-44-26-10-7-21-39(44)40-30-29-36(32-46(40)55)38-24-14-25-42-41-22-9-12-28-47(41)56-48(38)42;1-3-14-31(15-4-1)47-50-48(32-16-5-2-6-17-32)52-49(51-47)41-28-29-43(36-19-8-7-18-35(36)41)53-42-24-11-9-20-37(42)38-27-26-33(30-44(38)53)34-22-13-23-40-39-21-10-12-25-45(39)54-46(34)40;1-4-13-29(14-5-1)32-23-25-35-36-26-24-33(34-20-12-21-38-37-19-10-11-22-41(37)50-42(34)38)28-40(36)49(39(35)27-32)45-47-43(30-15-6-2-7-16-30)46-44(48-45)31-17-8-3-9-18-31/h1-31H;2*1-32H;1-30H;1-28H |
| InChIKey | WHLWHVRUEKOUBD-UHFFFAOYSA-N |
| XLogP | 65.94 |
| TPSA | 222.93 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 273 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3575.42 |
| LogP ≤ 5 | 65.94 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 26 |