C270H172N18O2 — CID 162138497
2-[3-[7-[3-(1,3-benzoxazol-2-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-benzoxazole;2,4-dinaphthalen-2-yl-6-triphenylen-2-yl-1,3,5-triazine;2,4-diphenyl-6-triphenylen-2-ylpyridine;4,6-diphenyl-2-triphenylen-2-ylpyrimidine;2,4-diphenyl-6-triphenylen-2-yl-1,3,5-triazine;1-methyl-2-[3-[7-[3-(1-methylbenzimidazol-2-yl)phenyl]triphenylen-2-yl]phenyl]benzimidazole;2-naphthalen-2-yl-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine (PubChem CID 162138497) has the molecular formula C270H172N18O2 and a molecular weight of 3700.47 g/mol. Its IUPAC name is 2-[3-[7-[3-(1,3-benzoxazol-2-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-benzoxazole;2,4-dinaphthalen-2-yl-6-triphenylen-2-yl-1,3,5-triazine;2,4-diphenyl-6-triphenylen-2-ylpyridine;4,6-diphenyl-2-triphenylen-2-ylpyrimidine;2,4-diphenyl-6-triphenylen-2-yl-1,3,5-triazine;1-methyl-2-[3-[7-[3-(1-methylbenzimidazol-2-yl)phenyl]triphenylen-2-yl]phenyl]benzimidazole;2-naphthalen-2-yl-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine.
| Compound Name | 2-[3-[7-[3-(1,3-benzoxazol-2-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-benzoxazole;2,4-dinaphthalen-2-yl-6-triphenylen-2-yl-1,3,5-triazine;2,4-diphenyl-6-triphenylen-2-ylpyridine;4,6-diphenyl-2-triphenylen-2-ylpyrimidine;2,4-diphenyl-6-triphenylen-2-yl-1,3,5-triazine;1-methyl-2-[3-[7-[3-(1-methylbenzimidazol-2-yl)phenyl]triphenylen-2-yl]phenyl]benzimidazole;2-naphthalen-2-yl-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine |
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| PubChem CID | 162138497 |
| Molecular Formula | C270H172N18O2 |
| Molecular Weight | 3700.47 g/mol |
| Exact Mass | 3697.39 |
| IUPAC Name | 2-[3-[7-[3-(1,3-benzoxazol-2-yl)phenyl]triphenylen-2-yl]phenyl]-1,3-benzoxazole;2,4-dinaphthalen-2-yl-6-triphenylen-2-yl-1,3,5-triazine;2,4-diphenyl-6-triphenylen-2-ylpyridine;4,6-diphenyl-2-triphenylen-2-ylpyrimidine;2,4-diphenyl-6-triphenylen-2-yl-1,3,5-triazine;1-methyl-2-[3-[7-[3-(1-methylbenzimidazol-2-yl)phenyl]triphenylen-2-yl]phenyl]benzimidazole;2-naphthalen-2-yl-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine |
| SMILES | Cn1c(-c2cccc(-c3ccc4c5ccc(-c6cccc(-c7nc8ccccc8n7C)c6)cc5c5ccccc5c4c3)c2)nc2ccccc21.c1cc(-c2ccc3c4ccc(-c5cccc(-c6nc7ccccc7o6)c5)cc4c4ccccc4c3c2)cc(-c2nc3ccccc3o2)c1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c5ccccc5c5ccccc5c4c3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c5ccccc5c5ccccc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4c5ccccc5c5ccccc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c5ccccc5c5ccccc5c4c3)n2)cc1.c1ccc2cc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc5c6ccccc6c6ccccc6c5c4)n3)ccc2c1 |
| InChI | InChI=1S/C46H32N4.C44H26N2O2.C41H25N3.C37H23N3.C35H23N.C34H22N2.C33H21N3/c1-49-43-19-7-5-17-41(43)47-45(49)33-13-9-11-29(25-33)31-21-23-37-38-24-22-32(28-40(38)36-16-4-3-15-35(36)39(37)27-31)30-12-10-14-34(26-30)46-48-42-18-6-8-20-44(42)50(46)2;1-2-14-34-33(13-1)37-25-29(27-9-7-11-31(23-27)43-45-39-15-3-5-17-41(39)47-43)19-21-35(37)36-22-20-30(26-38(34)36)28-10-8-12-32(24-28)44-46-40-16-4-6-18-42(40)48-44;1-3-11-28-23-30(19-17-26(28)9-1)39-42-40(31-20-18-27-10-2-4-12-29(27)24-31)44-41(43-39)32-21-22-37-35-15-6-5-13-33(35)34-14-7-8-16-36(34)38(37)25-32;1-2-11-25(12-3-1)35-38-36(27-19-18-24-10-4-5-13-26(24)22-27)40-37(39-35)28-20-21-33-31-16-7-6-14-29(31)30-15-8-9-17-32(30)34(33)23-28;1-3-11-24(12-4-1)27-22-34(25-13-5-2-6-14-25)36-35(23-27)26-19-20-32-30-17-8-7-15-28(30)29-16-9-10-18-31(29)33(32)21-26;1-3-11-23(12-4-1)32-22-33(24-13-5-2-6-14-24)36-34(35-32)25-19-20-30-28-17-8-7-15-26(28)27-16-9-10-18-29(27)31(30)21-25;1-3-11-22(12-4-1)31-34-32(23-13-5-2-6-14-23)36-33(35-31)24-19-20-29-27-17-8-7-15-25(27)26-16-9-10-18-28(26)30(29)21-24/h3-28H,1-2H3;1-26H;1-25H;1-23H;1-23H;1-22H;1-21H |
| InChIKey | ZJPOZWAEALXJBO-UHFFFAOYSA-N |
| XLogP | 70.62 |
| TPSA | 242.38 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 290 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3700.47 |
| LogP ≤ 5 | 70.62 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 20 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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