C273H170N20 — CID 160507007
9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazole;9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-3,6-diphenylcarbazole;9-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-1-yl]-2,7-diphenylcarbazole;9-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-2-phenylcarbazole;9-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-3-triphenylen-2-ylcarbazole (PubChem CID 160507007) has the molecular formula C273H170N20 and a molecular weight of 3730.50 g/mol. Its IUPAC name is 9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazole;9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-3,6-diphenylcarbazole;9-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-1-yl]-2,7-diphenylcarbazole;9-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-2-phenylcarbazole;9-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-3-triphenylen-2-ylcarbazole.
| Compound Name | 9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazole;9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-3,6-diphenylcarbazole;9-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-1-yl]-2,7-diphenylcarbazole;9-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-2-phenylcarbazole;9-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-3-triphenylen-2-ylcarbazole |
|---|---|
| PubChem CID | 160507007 |
| Molecular Formula | C273H170N20 |
| Molecular Weight | 3730.50 g/mol |
| Exact Mass | 3727.39 |
| IUPAC Name | 9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazole;9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-3,6-diphenylcarbazole;9-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-1-yl]-2,7-diphenylcarbazole;9-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-2-phenylcarbazole;9-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-3-triphenylen-2-ylcarbazole |
| SMILES | c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc3c4ccccc4c4c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cccc4c3c2)cc1.c1ccc(-c2ccc3c4ccc(-c5ccccc5)cc4n(-c4cccc5c6ccccc6c6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6c45)c3c2)cc1.c1ccc(-c2ccc3c4ccccc4n(-c4ccc5c6ccccc6c6cc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)ccc6c5c4)c3c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3ccccc3c3ccc(-n5c6ccccc6c6cc(-c7ccc8c9ccccc9c9ccccc9c8c7)ccc65)cc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c5cc(-n6c7ccccc7c7ccccc76)ccc5c5ccccc5c34)n2)cc1 |
| InChI | InChI=1S/C63H38N4.2C57H36N4.C51H32N4.C45H28N4/c1-3-15-39(16-4-1)61-64-62(40-17-5-2-6-18-40)66-63(65-61)43-28-32-53-56(37-43)50-24-12-10-22-48(50)52-33-30-44(38-57(52)53)67-59-26-14-13-25-54(59)58-36-42(29-34-60(58)67)41-27-31-51-47-21-8-7-19-45(47)46-20-9-11-23-49(46)55(51)35-41;1-5-17-37(18-6-1)41-31-33-45-46-34-32-42(38-19-7-2-8-20-38)36-52(46)61(51(45)35-41)50-30-16-28-48-44-26-14-13-25-43(44)47-27-15-29-49(53(47)54(48)50)57-59-55(39-21-9-3-10-22-39)58-56(60-57)40-23-11-4-12-24-40;1-5-16-37(17-6-1)41-28-32-52-50(34-41)51-35-42(38-18-7-2-8-19-38)29-33-53(51)61(52)43-30-31-45-44-24-13-14-25-46(44)54-47(49(45)36-43)26-15-27-48(54)57-59-55(39-20-9-3-10-21-39)58-56(60-57)40-22-11-4-12-23-40;1-4-14-33(15-5-1)36-24-28-44-43-22-12-13-23-47(43)55(48(44)31-36)38-26-29-41-39-20-10-11-21-40(39)45-30-37(25-27-42(45)46(41)32-38)51-53-49(34-16-6-2-7-17-34)52-50(54-51)35-18-8-3-9-19-35;1-3-14-29(15-4-1)43-46-44(30-16-5-2-6-17-30)48-45(47-43)38-23-13-22-37-39-28-31(26-27-33(39)32-18-7-8-21-36(32)42(37)38)49-40-24-11-9-19-34(40)35-20-10-12-25-41(35)49/h1-38H;2*1-36H;1-32H;1-28H |
| InChIKey | QSNUXBSSFMUCBH-UHFFFAOYSA-N |
| XLogP | 70.61 |
| TPSA | 218.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 293 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3730.50 |
| LogP ≤ 5 | 70.61 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 20 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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