C209H136N12 — CID 157487558
2-[2-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[2-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2,4-diphenyl-6-[2-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]naphthalen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-(2-triphenylen-2-ylnaphthalen-1-yl)-1,3,5-triazine (PubChem CID 157487558) has the molecular formula C209H136N12 and a molecular weight of 2815.47 g/mol. Its IUPAC name is 2-[2-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[2-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2,4-diphenyl-6-[2-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]naphthalen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-(2-triphenylen-2-ylnaphthalen-1-yl)-1,3,5-triazine.
| Compound Name | 2-[2-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[2-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2,4-diphenyl-6-[2-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]naphthalen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-(2-triphenylen-2-ylnaphthalen-1-yl)-1,3,5-triazine |
|---|---|
| PubChem CID | 157487558 |
| Molecular Formula | C209H136N12 |
| Molecular Weight | 2815.47 g/mol |
| Exact Mass | 2813.10 |
| IUPAC Name | 2-[2-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[2-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2,4-diphenyl-6-[2-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]naphthalen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-(2-triphenylen-2-ylnaphthalen-1-yl)-1,3,5-triazine |
| SMILES | c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4c(-c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)ccc5ccccc45)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4c(-c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)ccc5ccccc45)n3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3c(-c4ccc(C5(c6ccccc6)c6ccccc6-c6c5ccc5ccccc65)cc4)ccc4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3c(-c4ccc5c6ccccc6c6ccccc6c5c4)ccc4ccccc34)n2)cc1 |
| InChI | InChI=1S/2C56H37N3.C54H35N3.C43H27N3/c1-5-19-38(20-6-1)41-24-17-25-42(37-41)54-57-53(40-22-7-2-8-23-40)58-55(59-54)52-45-30-14-13-21-39(45)35-36-47(52)46-32-18-34-50-51(46)48-31-15-16-33-49(48)56(50,43-26-9-3-10-27-43)44-28-11-4-12-29-44;1-5-18-38(19-6-1)39-32-34-42(35-33-39)54-57-53(41-21-7-2-8-22-41)58-55(59-54)52-45-27-14-13-20-40(45)36-37-47(52)46-29-17-31-50-51(46)48-28-15-16-30-49(48)56(50,43-23-9-3-10-24-43)44-25-11-4-12-26-44;1-4-18-39(19-5-1)51-55-52(40-20-6-2-7-21-40)57-53(56-51)50-44-25-13-11-16-36(44)30-34-45(50)38-28-32-42(33-29-38)54(41-22-8-3-9-23-41)47-27-15-14-26-46(47)49-43-24-12-10-17-37(43)31-35-48(49)54;1-3-14-29(15-4-1)41-44-42(30-16-5-2-6-17-30)46-43(45-41)40-32-18-8-7-13-28(32)23-25-33(40)31-24-26-38-36-21-10-9-19-34(36)35-20-11-12-22-37(35)39(38)27-31/h2*1-37H;1-35H;1-27H |
| InChIKey | BWWVMYWZPDWSPT-UHFFFAOYSA-N |
| XLogP | 51.81 |
| TPSA | 154.68 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 221 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2815.47 |
| LogP ≤ 5 | 51.81 |
| 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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