C231H161N13 — CID 165099121
2-[3-[3-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyrimidine;2,4-diphenyl-6-triphenylen-2-ylpyrimidine (PubChem CID 165099121) has the molecular formula C231H161N13 and a molecular weight of 3118.92 g/mol. Its IUPAC name is 2-[3-[3-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyrimidine;2,4-diphenyl-6-triphenylen-2-ylpyrimidine.
| Compound Name | 2-[3-[3-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyrimidine;2,4-diphenyl-6-triphenylen-2-ylpyrimidine |
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| PubChem CID | 165099121 |
| Molecular Formula | C231H161N13 |
| Molecular Weight | 3118.92 g/mol |
| Exact Mass | 3116.30 |
| IUPAC Name | 2-[3-[3-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyrimidine;2,4-diphenyl-6-triphenylen-2-ylpyrimidine |
| SMILES | CC1(C)c2ccccc2-c2c(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccc(-c7ccccc7)cc6)n5)c4)c3)cccc21.CC1(C)c2ccccc2-c2cc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccc(-c7ccccc7)cc6)n5)c4)c3)ccc21.CC1(C)c2ccccc2-c2cccc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccc(-c7ccccc7)cc6)n5)c4)c3)c21.c1ccc(-c2cc(-c3ccc4c5ccccc5c5ccccc5c4c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4cccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)c4)c3)nc(-c3ccccc3)n2)cc1 |
| InChI | InChI=1S/C53H34N2.3C48H35N3.C34H22N2/c1-3-15-35(16-4-1)50-34-51(55-52(54-50)36-17-5-2-6-18-36)41-22-14-21-39(32-41)37-19-13-20-38(31-37)40-29-30-45-44-25-9-12-28-48(44)53(49(45)33-40)46-26-10-7-23-42(46)43-24-8-11-27-47(43)53;1-48(2)43-25-10-9-22-41(43)42-24-13-23-40(44(42)48)38-20-11-18-36(30-38)37-19-12-21-39(31-37)47-50-45(34-16-7-4-8-17-34)49-46(51-47)35-28-26-33(27-29-35)32-14-5-3-6-15-32;1-48(2)42-24-10-9-22-41(42)44-40(23-13-25-43(44)48)38-20-11-18-36(30-38)37-19-12-21-39(31-37)47-50-45(34-16-7-4-8-17-34)49-46(51-47)35-28-26-33(27-29-35)32-14-5-3-6-15-32;1-48(2)43-22-10-9-21-41(43)42-31-39(27-28-44(42)48)37-18-11-17-36(29-37)38-19-12-20-40(30-38)47-50-45(34-15-7-4-8-16-34)49-46(51-47)35-25-23-33(24-26-35)32-13-5-3-6-14-32;1-3-11-23(12-4-1)32-22-33(36-34(35-32)24-13-5-2-6-14-24)25-19-20-30-28-17-8-7-15-26(28)27-16-9-10-18-29(27)31(30)21-25/h1-34H;3*3-31H,1-2H3;1-22H |
| InChIKey | YAGBWFCVGKFVMG-UHFFFAOYSA-N |
| XLogP | 58.63 |
| TPSA | 167.57 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 13 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 244 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3118.92 |
| LogP ≤ 5 | 58.63 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 13 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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