C212H132N20S — CID 161474425
3-carbazol-9-yl-9-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-carbazol-9-yl-9-[4-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole;3-carbazol-9-yl-9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-carbazol-9-yl-9-[4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole (PubChem CID 161474425) has the molecular formula C212H132N20S and a molecular weight of 2991.59 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-carbazol-9-yl-9-[4-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole;3-carbazol-9-yl-9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-carbazol-9-yl-9-[4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole.
| Compound Name | 3-carbazol-9-yl-9-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-carbazol-9-yl-9-[4-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole;3-carbazol-9-yl-9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-carbazol-9-yl-9-[4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole |
|---|---|
| PubChem CID | 161474425 |
| Molecular Formula | C212H132N20S |
| Molecular Weight | 2991.59 g/mol |
| Exact Mass | 2989.07 |
| IUPAC Name | 3-carbazol-9-yl-9-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-carbazol-9-yl-9-[4-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole;3-carbazol-9-yl-9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-carbazol-9-yl-9-[4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole |
| SMILES | c1ccc(-c2ccc(-c3nc(-c4ccc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)cc4)nc(-c4ccc5ccccc5c4)n3)cc2)cc1.c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3)nc(-c3ccc4c5ccccc5c5ccccc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3)nc(-c3ccc4ccccc4c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3)nc(-c3cccc4c3sc3ccccc34)n2)cc1 |
| InChI | InChI=1S/C57H35N5.C55H35N5.C51H31N5S.C49H31N5/c1-2-14-36(15-3-1)55-58-56(60-57(59-55)38-28-32-45-43-18-5-4-16-41(43)42-17-6-7-19-44(42)49(45)34-38)37-26-29-39(30-27-37)61-53-25-13-10-22-48(53)50-35-40(31-33-54(50)61)62-51-23-11-8-20-46(51)47-21-9-12-24-52(47)62;1-2-12-36(13-3-1)38-22-25-39(26-23-38)53-56-54(58-55(57-53)42-27-24-37-14-4-5-15-41(37)34-42)40-28-30-43(31-29-40)59-51-21-11-8-18-47(51)48-35-44(32-33-52(48)59)60-49-19-9-6-16-45(49)46-17-7-10-20-50(46)60;1-2-13-32(14-3-1)49-52-50(54-51(53-49)41-20-12-19-40-39-18-7-11-24-47(39)57-48(40)41)33-25-27-34(28-26-33)55-45-23-10-6-17-38(45)42-31-35(29-30-46(42)55)56-43-21-8-4-15-36(43)37-16-5-9-22-44(37)56;1-2-13-33(14-3-1)47-50-48(52-49(51-47)36-23-22-32-12-4-5-15-35(32)30-36)34-24-26-37(27-25-34)53-45-21-11-8-18-41(45)42-31-38(28-29-46(42)53)54-43-19-9-6-16-39(43)40-17-7-10-20-44(40)54/h1-35H;1-35H;1-31H;1-31H |
| InChIKey | WDNFYPITRMGJLJ-UHFFFAOYSA-N |
| XLogP | 54.07 |
| TPSA | 194.12 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 233 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2991.59 |
| LogP ≤ 5 | 54.07 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 21 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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