C248H162N10 — CID 163479211
2,6-diphenyl-4-[3-[3-(7-phenyltriphenylen-2-yl)phenyl]phenyl]pyridine;4,6-diphenyl-2-[3-(3-phenyl-5-triphenylen-2-ylphenyl)phenyl]pyrimidine;4,6-diphenyl-2-[3-phenyl-5-(3-triphenylen-2-ylphenyl)phenyl]pyrimidine;2,6-dipyridin-3-yl-4-[3-(3-triphenylen-2-ylphenyl)phenyl]pyridine;4-[3-pyridin-4-yl-5-[3-(3-triphenylen-1-ylphenyl)phenyl]phenyl]pyridine (PubChem CID 163479211) has the molecular formula C248H162N10 and a molecular weight of 3282.09 g/mol. Its IUPAC name is 2,6-diphenyl-4-[3-[3-(7-phenyltriphenylen-2-yl)phenyl]phenyl]pyridine;4,6-diphenyl-2-[3-(3-phenyl-5-triphenylen-2-ylphenyl)phenyl]pyrimidine;4,6-diphenyl-2-[3-phenyl-5-(3-triphenylen-2-ylphenyl)phenyl]pyrimidine;2,6-dipyridin-3-yl-4-[3-(3-triphenylen-2-ylphenyl)phenyl]pyridine;4-[3-pyridin-4-yl-5-[3-(3-triphenylen-1-ylphenyl)phenyl]phenyl]pyridine.
| Compound Name | 2,6-diphenyl-4-[3-[3-(7-phenyltriphenylen-2-yl)phenyl]phenyl]pyridine;4,6-diphenyl-2-[3-(3-phenyl-5-triphenylen-2-ylphenyl)phenyl]pyrimidine;4,6-diphenyl-2-[3-phenyl-5-(3-triphenylen-2-ylphenyl)phenyl]pyrimidine;2,6-dipyridin-3-yl-4-[3-(3-triphenylen-2-ylphenyl)phenyl]pyridine;4-[3-pyridin-4-yl-5-[3-(3-triphenylen-1-ylphenyl)phenyl]phenyl]pyridine |
|---|---|
| PubChem CID | 163479211 |
| Molecular Formula | C248H162N10 |
| Molecular Weight | 3282.09 g/mol |
| Exact Mass | 3279.30 |
| IUPAC Name | 2,6-diphenyl-4-[3-[3-(7-phenyltriphenylen-2-yl)phenyl]phenyl]pyridine;4,6-diphenyl-2-[3-(3-phenyl-5-triphenylen-2-ylphenyl)phenyl]pyrimidine;4,6-diphenyl-2-[3-phenyl-5-(3-triphenylen-2-ylphenyl)phenyl]pyrimidine;2,6-dipyridin-3-yl-4-[3-(3-triphenylen-2-ylphenyl)phenyl]pyridine;4-[3-pyridin-4-yl-5-[3-(3-triphenylen-1-ylphenyl)phenyl]phenyl]pyridine |
| SMILES | c1cc(-c2cc(-c3ccncc3)cc(-c3ccncc3)c2)cc(-c2cccc(-c3cccc4c5ccccc5c5ccccc5c34)c2)c1.c1cc(-c2cccc(-c3ccc4c5ccccc5c5ccccc5c4c3)c2)cc(-c2cc(-c3cccnc3)nc(-c3cccnc3)c2)c1.c1ccc(-c2cc(-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c2)cc1.c1ccc(-c2cc(-c3cccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3)cc(-c3ccc4c5ccccc5c5ccccc5c4c3)c2)cc1.c1ccc(-c2ccc3c4ccc(-c5cccc(-c6cccc(-c7cc(-c8ccccc8)nc(-c8ccccc8)c7)c6)c5)cc4c4ccccc4c3c2)cc1 |
| InChI | InChI=1S/C53H35N.2C52H34N2.C46H30N2.C45H29N3/c1-4-14-36(15-5-1)43-26-28-48-49-29-27-44(33-51(49)47-25-11-10-24-46(47)50(48)32-43)41-22-12-20-39(30-41)40-21-13-23-42(31-40)45-34-52(37-16-6-2-7-17-37)54-53(35-45)38-18-8-3-9-19-38;1-4-15-35(16-5-1)41-30-42(32-43(31-41)39-27-28-48-46-25-11-10-23-44(46)45-24-12-13-26-47(45)49(48)33-39)38-21-14-22-40(29-38)52-53-50(36-17-6-2-7-18-36)34-51(54-52)37-19-8-3-9-20-37;1-4-15-35(16-5-1)41-30-42(32-43(31-41)52-53-50(36-17-6-2-7-18-36)34-51(54-52)37-19-8-3-9-20-37)39-22-14-21-38(29-39)40-27-28-48-46-25-11-10-23-44(46)45-24-12-13-26-47(45)49(48)33-40;1-2-13-43-41(12-1)42-14-3-4-15-44(42)46-40(16-7-17-45(43)46)36-11-6-9-34(27-36)33-8-5-10-35(26-33)39-29-37(31-18-22-47-23-19-31)28-38(30-39)32-20-24-48-25-21-32;1-2-17-40-38(15-1)39-16-3-4-18-41(39)43-25-34(19-20-42(40)43)32-11-5-9-30(23-32)31-10-6-12-33(24-31)37-26-44(35-13-7-21-46-28-35)48-45(27-37)36-14-8-22-47-29-36/h1-35H;2*1-34H;1-30H;1-29H |
| InChIKey | CDBQWNMCKCYWBY-UHFFFAOYSA-N |
| XLogP | 66.36 |
| TPSA | 128.90 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 258 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3282.09 |
| LogP ≤ 5 | 66.36 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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