C251H161N15 — CID 158825847
2-naphthalen-2-yl-4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-phenyl-1,3,5-triazine;2-naphthalen-2-yl-4-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-6-phenyl-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[3-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[3-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-1,3,5-triazine (PubChem CID 158825847) has the molecular formula C251H161N15 and a molecular weight of 3387.15 g/mol. Its IUPAC name is 2-naphthalen-2-yl-4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-phenyl-1,3,5-triazine;2-naphthalen-2-yl-4-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-6-phenyl-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[3-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[3-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-1,3,5-triazine.
| Compound Name | 2-naphthalen-2-yl-4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-phenyl-1,3,5-triazine;2-naphthalen-2-yl-4-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-6-phenyl-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[3-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[3-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-1,3,5-triazine |
|---|---|
| PubChem CID | 158825847 |
| Molecular Formula | C251H161N15 |
| Molecular Weight | 3387.15 g/mol |
| Exact Mass | 3384.31 |
| IUPAC Name | 2-naphthalen-2-yl-4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-phenyl-1,3,5-triazine;2-naphthalen-2-yl-4-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-6-phenyl-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[3-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[3-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-1,3,5-triazine |
| SMILES | c1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccc7ccccc7c6)n5)c4)c4ccccc34)cc2)cc1.c1ccc(-c2nc(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6ccc7ccccc7c6)cc5)c5ccccc45)cc3)nc(-c3ccc4ccccc4c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)cc3)nc(-c3ccc4ccccc4c3)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)c3)nc(-c3ccc4ccccc4c3)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4c5ccccc5c(-c5ccccc5-c5ccccc5)c5ccccc45)c3)nc(-c3ccc4ccccc4c3)n2)cc1 |
| InChI | InChI=1S/C55H35N3.2C51H33N3.C49H31N3.C45H29N3/c1-2-14-41(15-3-1)53-56-54(58-55(57-53)46-33-25-37-13-5-7-17-44(37)35-46)42-30-28-40(29-31-42)52-49-20-10-8-18-47(49)51(48-19-9-11-21-50(48)52)39-26-22-38(23-27-39)45-32-24-36-12-4-6-16-43(36)34-45;1-3-14-34(15-4-1)36-26-29-37(30-27-36)47-43-22-9-11-24-45(43)48(46-25-12-10-23-44(46)47)40-20-13-21-41(33-40)50-52-49(38-17-5-2-6-18-38)53-51(54-50)42-31-28-35-16-7-8-19-39(35)32-42;1-3-17-35(18-4-1)41-24-9-10-25-42(41)48-45-28-13-11-26-43(45)47(44-27-12-14-29-46(44)48)38-22-15-23-39(33-38)50-52-49(36-19-5-2-6-20-36)53-51(54-50)40-31-30-34-16-7-8-21-37(34)32-40;1-2-15-35(16-3-1)47-50-48(52-49(51-47)38-30-25-32-13-4-5-17-37(32)31-38)36-28-26-34(27-29-36)45-41-20-8-10-22-43(41)46(44-23-11-9-21-42(44)45)40-24-12-18-33-14-6-7-19-39(33)40;1-3-15-31(16-4-1)41-37-22-9-11-24-39(37)42(40-25-12-10-23-38(40)41)34-20-13-21-35(29-34)44-46-43(32-17-5-2-6-18-32)47-45(48-44)36-27-26-30-14-7-8-19-33(30)28-36/h1-35H;2*1-33H;1-31H;1-29H |
| InChIKey | IWLHDXUVGGGCSN-UHFFFAOYSA-N |
| XLogP | 65.64 |
| TPSA | 193.35 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 266 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3387.15 |
| LogP ≤ 5 | 65.64 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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