C153H93N9O3 — CID 164991903
2,4-dinaphthalen-2-yl-6-[4-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[4-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]-1,3,5-triazine;2-phenanthren-9-yl-4-phenyl-6-[4-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine (PubChem CID 164991903) has the molecular formula C153H93N9O3 and a molecular weight of 2105.49 g/mol. Its IUPAC name is 2,4-dinaphthalen-2-yl-6-[4-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[4-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]-1,3,5-triazine;2-phenanthren-9-yl-4-phenyl-6-[4-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine.
| Compound Name | 2,4-dinaphthalen-2-yl-6-[4-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[4-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]-1,3,5-triazine;2-phenanthren-9-yl-4-phenyl-6-[4-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine |
|---|---|
| PubChem CID | 164991903 |
| Molecular Formula | C153H93N9O3 |
| Molecular Weight | 2105.49 g/mol |
| Exact Mass | 2103.74 |
| IUPAC Name | 2,4-dinaphthalen-2-yl-6-[4-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[4-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]-1,3,5-triazine;2-phenanthren-9-yl-4-phenyl-6-[4-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine |
| SMILES | c1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)cc3)c3c2oc2cc4ccccc4cc23)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(-c5ccccc5)c5oc6cc7ccccc7cc6c45)c4ccccc34)nc(-c3cc4ccccc4c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(-c5ccccc5)c5oc6cc7ccccc7cc6c45)cc3)nc(-c3ccc4ccccc4c3)n2)cc1 |
| InChI | InChI=1S/C55H33N3O.C51H31N3O.C47H29N3O/c1-3-15-34(16-4-1)40-27-29-46(51-49-31-36-19-7-8-20-37(36)33-50(49)59-52(40)51)45-28-30-47(43-25-13-12-24-42(43)45)54-56-53(35-17-5-2-6-18-35)57-55(58-54)48-32-38-21-9-10-22-39(38)41-23-11-14-26-44(41)48;1-2-12-34(13-3-1)44-27-26-43(47-45-30-39-16-8-9-17-40(39)31-46(45)55-48(44)47)35-20-22-36(23-21-35)49-52-50(41-24-18-32-10-4-6-14-37(32)28-41)54-51(53-49)42-25-19-33-11-5-7-15-38(33)29-42;1-3-12-31(13-4-1)40-26-25-39(43-41-28-36-17-9-10-18-37(36)29-42(41)51-44(40)43)32-20-22-34(23-21-32)46-48-45(33-14-5-2-6-15-33)49-47(50-46)38-24-19-30-11-7-8-16-35(30)27-38/h1-33H;1-31H;1-29H |
| InChIKey | GYZVTGSBVXMOBU-UHFFFAOYSA-N |
| XLogP | 40.70 |
| TPSA | 155.43 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 165 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2105.49 |
| LogP ≤ 5 | 40.70 |
| 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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