C169H101N9O3 — CID 164971653
2,4-dinaphthalen-1-yl-6-[4-(2-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine;2-naphthalen-1-yl-4-[4-(2-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine;2-[4-(2-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-1-yl)naphthalen-1-yl]-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine (PubChem CID 164971653) has the molecular formula C169H101N9O3 and a molecular weight of 2305.73 g/mol. Its IUPAC name is 2,4-dinaphthalen-1-yl-6-[4-(2-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine;2-naphthalen-1-yl-4-[4-(2-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine;2-[4-(2-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-1-yl)naphthalen-1-yl]-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine.
| Compound Name | 2,4-dinaphthalen-1-yl-6-[4-(2-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine;2-naphthalen-1-yl-4-[4-(2-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine;2-[4-(2-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-1-yl)naphthalen-1-yl]-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine |
|---|---|
| PubChem CID | 164971653 |
| Molecular Formula | C169H101N9O3 |
| Molecular Weight | 2305.73 g/mol |
| Exact Mass | 2303.80 |
| IUPAC Name | 2,4-dinaphthalen-1-yl-6-[4-(2-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine;2-naphthalen-1-yl-4-[4-(2-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine;2-[4-(2-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-1-yl)naphthalen-1-yl]-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine |
| SMILES | c1ccc(-c2nc(-c3ccc(-c4c(-c5cccc6ccccc56)ccc5oc6cc7ccccc7cc6c45)cc3)nc(-c3cccc4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccc4ccc5ccccc5c4c3)nc(-c3ccc(-c4c(-c5cccc6ccccc56)ccc5oc6cc7ccccc7cc6c45)c4ccccc34)n2)cc1.c1ccc2cc(-c3ccc4oc5cc6ccccc6cc5c4c3-c3ccc(-c4nc(-c5cccc6ccccc56)nc(-c5cccc6ccccc56)n4)c4ccccc34)ccc2c1 |
| InChI | InChI=1S/2C59H35N3O.C51H31N3O/c1-2-16-39-33-42(28-27-36(39)13-1)45-31-32-53-56(52-34-40-17-3-4-18-41(40)35-54(52)63-53)55(45)48-29-30-51(47-24-10-9-23-46(47)48)59-61-57(49-25-11-19-37-14-5-7-21-43(37)49)60-58(62-59)50-26-12-20-38-15-6-8-22-44(38)50;1-2-15-39(16-3-1)57-60-58(42-28-27-38-26-25-37-14-7-9-21-44(37)51(38)34-42)62-59(61-57)50-30-29-48(46-22-10-11-23-47(46)50)55-49(45-24-12-19-36-13-6-8-20-43(36)45)31-32-53-56(55)52-33-40-17-4-5-18-41(40)35-54(52)63-53;1-2-14-35(15-3-1)49-52-50(54-51(53-49)43-23-11-19-33-13-7-9-21-40(33)43)36-26-24-34(25-27-36)47-42(41-22-10-18-32-12-6-8-20-39(32)41)28-29-45-48(47)44-30-37-16-4-5-17-38(37)31-46(44)55-45/h2*1-35H;1-31H |
| InChIKey | DEYRISFZQVIZRJ-UHFFFAOYSA-N |
| XLogP | 45.31 |
| TPSA | 155.43 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 181 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2305.73 |
| LogP ≤ 5 | 45.31 |
| 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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