C154H102N12 — CID 165084268
2,4-diphenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine;2-phenanthren-9-yl-4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine;2-phenyl-4-(9-phenylfluoren-9-yl)-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 165084268) has the molecular formula C154H102N12 and a molecular weight of 2120.59 g/mol. Its IUPAC name is 2,4-diphenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine;2-phenanthren-9-yl-4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine;2-phenyl-4-(9-phenylfluoren-9-yl)-6-(4-phenylphenyl)-1,3,5-triazine.
| Compound Name | 2,4-diphenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine;2-phenanthren-9-yl-4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine;2-phenyl-4-(9-phenylfluoren-9-yl)-6-(4-phenylphenyl)-1,3,5-triazine |
|---|---|
| PubChem CID | 165084268 |
| Molecular Formula | C154H102N12 |
| Molecular Weight | 2120.59 g/mol |
| Exact Mass | 2118.84 |
| IUPAC Name | 2,4-diphenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine;2-phenanthren-9-yl-4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine;2-phenyl-4-(9-phenylfluoren-9-yl)-6-(4-phenylphenyl)-1,3,5-triazine |
| SMILES | c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(C4(c5ccccc5)c5ccccc5-c5ccccc54)n3)cc2)cc1.c1ccc(-c2nc(-c3cc4ccccc4c4ccccc34)nc(C3(c4ccccc4)c4ccccc4-c4ccccc43)n2)cc1.c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(C3(c4ccccc4)c4ccccc4-c4ccccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(C3(c4ccccc4)c4ccccc4-c4ccccc43)n2)cc1 |
| InChI | InChI=1S/C42H27N3.C40H27N3.C38H25N3.C34H23N3/c1-3-15-28(16-4-1)39-43-40(36-27-29-17-7-8-20-31(29)32-21-9-10-22-33(32)36)45-41(44-39)42(30-18-5-2-6-19-30)37-25-13-11-23-34(37)35-24-12-14-26-38(35)42;1-4-14-28(15-5-1)29-24-26-31(27-25-29)38-41-37(30-16-6-2-7-17-30)42-39(43-38)40(32-18-8-3-9-19-32)35-22-12-10-20-33(35)34-21-11-13-23-36(34)40;1-3-14-27(15-4-1)35-39-36(29-24-23-26-13-7-8-16-28(26)25-29)41-37(40-35)38(30-17-5-2-6-18-30)33-21-11-9-19-31(33)32-20-10-12-22-34(32)38;1-4-14-24(15-5-1)31-35-32(25-16-6-2-7-17-25)37-33(36-31)34(26-18-8-3-9-19-26)29-22-12-10-20-27(29)28-21-11-13-23-30(28)34/h1-27H;1-27H;1-25H;1-23H |
| InChIKey | VPWKONJXHYVUAL-UHFFFAOYSA-N |
| XLogP | 35.40 |
| TPSA | 154.68 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 17 |
| Heavy Atoms | 166 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2120.59 |
| LogP ≤ 5 | 35.40 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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