C267H161N25 — CID 158790436
2-[6,10-bis(1,3,5-triazin-2-yl)triphenylen-2-yl]-1,3,5-triazine;6-(7-isoquinolin-6-yltriphenylen-2-yl)isoquinoline;6-(6-naphthalen-2-yl-10-quinolin-6-yltriphenylen-2-yl)quinoline;6-(6-quinolin-6-yltriphenylen-2-yl)quinoline;8-(7-quinolin-8-yltriphenylen-2-yl)quinoline;2-[6-(1,3,5-triazin-2-yl)triphenylen-2-yl]-1,3,5-triazine;2-triphenylen-2-ylbenzo[h]quinoline;9-triphenylen-2-ylbenzo[h]quinoline (PubChem CID 158790436) has the molecular formula C267H161N25 and a molecular weight of 3719.40 g/mol. Its IUPAC name is 2-[6,10-bis(1,3,5-triazin-2-yl)triphenylen-2-yl]-1,3,5-triazine;6-(7-isoquinolin-6-yltriphenylen-2-yl)isoquinoline;6-(6-naphthalen-2-yl-10-quinolin-6-yltriphenylen-2-yl)quinoline;6-(6-quinolin-6-yltriphenylen-2-yl)quinoline;8-(7-quinolin-8-yltriphenylen-2-yl)quinoline;2-[6-(1,3,5-triazin-2-yl)triphenylen-2-yl]-1,3,5-triazine;2-triphenylen-2-ylbenzo[h]quinoline;9-triphenylen-2-ylbenzo[h]quinoline.
| Compound Name | 2-[6,10-bis(1,3,5-triazin-2-yl)triphenylen-2-yl]-1,3,5-triazine;6-(7-isoquinolin-6-yltriphenylen-2-yl)isoquinoline;6-(6-naphthalen-2-yl-10-quinolin-6-yltriphenylen-2-yl)quinoline;6-(6-quinolin-6-yltriphenylen-2-yl)quinoline;8-(7-quinolin-8-yltriphenylen-2-yl)quinoline;2-[6-(1,3,5-triazin-2-yl)triphenylen-2-yl]-1,3,5-triazine;2-triphenylen-2-ylbenzo[h]quinoline;9-triphenylen-2-ylbenzo[h]quinoline |
|---|---|
| PubChem CID | 158790436 |
| Molecular Formula | C267H161N25 |
| Molecular Weight | 3719.40 g/mol |
| Exact Mass | 3716.34 |
| IUPAC Name | 2-[6,10-bis(1,3,5-triazin-2-yl)triphenylen-2-yl]-1,3,5-triazine;6-(7-isoquinolin-6-yltriphenylen-2-yl)isoquinoline;6-(6-naphthalen-2-yl-10-quinolin-6-yltriphenylen-2-yl)quinoline;6-(6-quinolin-6-yltriphenylen-2-yl)quinoline;8-(7-quinolin-8-yltriphenylen-2-yl)quinoline;2-[6-(1,3,5-triazin-2-yl)triphenylen-2-yl]-1,3,5-triazine;2-triphenylen-2-ylbenzo[h]quinoline;9-triphenylen-2-ylbenzo[h]quinoline |
| SMILES | c1ccc2c(c1)c1cc(-c3ccc4cnccc4c3)ccc1c1ccc(-c3ccc4cnccc4c3)cc21.c1ccc2c(c1)c1ccc(-c3ncncn3)cc1c1ccc(-c3ncncn3)cc21.c1ccc2c(c1)ccc1ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)nc12.c1ccc2cc(-c3ccc4c(c3)c3ccc(-c5ccc6ncccc6c5)cc3c3ccc(-c5ccc6ncccc6c5)cc43)ccc2c1.c1cnc2c(-c3ccc4c5ccc(-c6cccc7cccnc67)cc5c5ccccc5c4c3)cccc2c1.c1cnc2c(c1)ccc1ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc12.c1cnc2ccc(-c3ccc4c(c3)c3ccccc3c3ccc(-c5ccc6ncccc6c5)cc34)cc2c1.c1ncnc(-c2ccc3c(c2)c2ccc(-c4ncncn4)cc2c2ccc(-c4ncncn4)cc32)n1 |
| InChI | InChI=1S/C46H28N2.3C36H22N2.2C31H19N.C27H15N9.C24H14N6/c1-2-6-30-23-31(10-9-29(30)5-1)34-11-16-39-42(26-34)40-17-12-35(32-14-19-45-37(24-32)7-3-21-47-45)28-44(40)41-18-13-36(27-43(39)41)33-15-20-46-38(25-33)8-4-22-48-46;1-2-12-30-29(11-1)33-21-25(27-13-3-7-23-9-5-19-37-35(23)27)15-17-31(33)32-18-16-26(22-34(30)32)28-14-4-8-24-10-6-20-38-36(24)28;1-2-8-30-29(7-1)31-13-9-25(23-11-15-35-27(19-23)5-3-17-37-35)22-34(31)32-14-10-26(21-33(30)32)24-12-16-36-28(20-24)6-4-18-38-36;1-2-4-32-31(3-1)35-19-25(23-5-7-29-21-37-15-13-27(29)17-23)9-11-33(35)34-12-10-26(20-36(32)34)24-6-8-30-22-38-16-14-28(30)18-24;1-2-9-26-24(7-1)25-8-3-4-10-27(25)30-19-23(15-16-28(26)30)22-14-12-20-11-13-21-6-5-17-32-31(21)29(20)18-22;1-2-8-23-20(7-1)13-14-21-16-18-30(32-31(21)23)22-15-17-28-26-11-4-3-9-24(26)25-10-5-6-12-27(25)29(28)19-22;1-4-19-22(7-16(1)25-31-10-28-11-32-25)20-5-2-18(27-35-14-30-15-36-27)9-24(20)21-6-3-17(8-23(19)21)26-33-12-29-13-34-26;1-2-4-18-17(3-1)19-7-5-15(23-27-11-25-12-28-23)10-22(19)20-8-6-16(9-21(18)20)24-29-13-26-14-30-24/h1-28H;3*1-22H;2*1-19H;1-15H;1-14H |
| InChIKey | ISEZHSOLOZCBOL-UHFFFAOYSA-N |
| XLogP | 67.71 |
| TPSA | 322.25 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 292 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3719.40 |
| LogP ≤ 5 | 67.71 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 25 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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