C174H108N12O2 — CID 162244193
2-benzo[c]phenanthren-2-yl-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-phenyl-6-[4-(12-phenylbenzo[c]phenanthren-2-yl)phenyl]-1,3,5-triazine;2-dibenzofuran-1-yl-4-phenyl-6-(12-phenylbenzo[g]phenanthren-3-yl)-1,3,5-triazine;2,4-diphenyl-6-(12-phenylbenzo[c]phenanthren-2-yl)-1,3,5-triazine (PubChem CID 162244193) has the molecular formula C174H108N12O2 and a molecular weight of 2398.86 g/mol. Its IUPAC name is 2-benzo[c]phenanthren-2-yl-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-phenyl-6-[4-(12-phenylbenzo[c]phenanthren-2-yl)phenyl]-1,3,5-triazine;2-dibenzofuran-1-yl-4-phenyl-6-(12-phenylbenzo[g]phenanthren-3-yl)-1,3,5-triazine;2,4-diphenyl-6-(12-phenylbenzo[c]phenanthren-2-yl)-1,3,5-triazine.
| Compound Name | 2-benzo[c]phenanthren-2-yl-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-phenyl-6-[4-(12-phenylbenzo[c]phenanthren-2-yl)phenyl]-1,3,5-triazine;2-dibenzofuran-1-yl-4-phenyl-6-(12-phenylbenzo[g]phenanthren-3-yl)-1,3,5-triazine;2,4-diphenyl-6-(12-phenylbenzo[c]phenanthren-2-yl)-1,3,5-triazine |
|---|---|
| PubChem CID | 162244193 |
| Molecular Formula | C174H108N12O2 |
| Molecular Weight | 2398.86 g/mol |
| Exact Mass | 2396.87 |
| IUPAC Name | 2-benzo[c]phenanthren-2-yl-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-phenyl-6-[4-(12-phenylbenzo[c]phenanthren-2-yl)phenyl]-1,3,5-triazine;2-dibenzofuran-1-yl-4-phenyl-6-(12-phenylbenzo[g]phenanthren-3-yl)-1,3,5-triazine;2,4-diphenyl-6-(12-phenylbenzo[c]phenanthren-2-yl)-1,3,5-triazine |
| SMILES | c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5ccc6ccc7ccccc7c6c5c4)n3)cc2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5ccc6ccc7cccc(-c8ccccc8)c7c6c5c4)cc3)nc(-c3cccc4oc5ccccc5c34)n2)cc1.c1ccc(-c2nc(-c3ccc4c(ccc5ccc6cccc(-c7ccccc7)c6c54)c3)nc(-c3cccc4oc5ccccc5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4ccc5ccc6cccc(-c7ccccc7)c6c5c4c3)n2)cc1 |
| InChI | InChI=1S/C51H31N3O.C45H27N3O.2C39H25N3/c1-3-11-33(12-4-1)40-17-9-15-35-26-27-36-25-23-34-24-30-39(31-43(34)47(36)46(35)40)32-21-28-38(29-22-32)50-52-49(37-13-5-2-6-14-37)53-51(54-50)42-18-10-20-45-48(42)41-16-7-8-19-44(41)55-45;1-3-11-28(12-4-1)34-17-9-15-29-21-22-30-23-24-32-27-33(25-26-35(32)41(30)40(29)34)44-46-43(31-13-5-2-6-14-31)47-45(48-44)37-18-10-20-39-42(37)36-16-7-8-19-38(36)49-39;1-4-11-26(12-5-1)33-18-10-17-28-22-23-29-21-19-27-20-24-32(25-34(27)36(29)35(28)33)39-41-37(30-13-6-2-7-14-30)40-38(42-39)31-15-8-3-9-16-31;1-3-9-26(10-4-1)27-15-22-32(23-16-27)38-40-37(31-12-5-2-6-13-31)41-39(42-38)33-24-19-29-18-21-30-20-17-28-11-7-8-14-34(28)36(30)35(29)25-33/h1-31H;1-27H;2*1-25H |
| InChIKey | ZXCMELXHHWHXEN-UHFFFAOYSA-N |
| XLogP | 45.46 |
| TPSA | 180.96 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | 17 |
| Heavy Atoms | 188 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2398.86 |
| LogP ≤ 5 | 45.46 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 14 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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