C216H144N16 — CID 157312768
1-(9,9-dimethylfluoren-1-yl)-9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)carbazole;1-(9,9-dimethylfluoren-2-yl)-9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)carbazole;1-(9,9-dimethylfluoren-3-yl)-9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)carbazole;1-(9,9-dimethylfluoren-4-yl)-9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)carbazole (PubChem CID 157312768) has the molecular formula C216H144N16 and a molecular weight of 2963.64 g/mol. Its IUPAC name is 1-(9,9-dimethylfluoren-1-yl)-9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)carbazole;1-(9,9-dimethylfluoren-2-yl)-9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)carbazole;1-(9,9-dimethylfluoren-3-yl)-9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)carbazole;1-(9,9-dimethylfluoren-4-yl)-9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)carbazole.
| Compound Name | 1-(9,9-dimethylfluoren-1-yl)-9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)carbazole;1-(9,9-dimethylfluoren-2-yl)-9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)carbazole;1-(9,9-dimethylfluoren-3-yl)-9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)carbazole;1-(9,9-dimethylfluoren-4-yl)-9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)carbazole |
|---|---|
| PubChem CID | 157312768 |
| Molecular Formula | C216H144N16 |
| Molecular Weight | 2963.64 g/mol |
| Exact Mass | 2961.18 |
| IUPAC Name | 1-(9,9-dimethylfluoren-1-yl)-9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)carbazole;1-(9,9-dimethylfluoren-2-yl)-9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)carbazole;1-(9,9-dimethylfluoren-3-yl)-9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)carbazole;1-(9,9-dimethylfluoren-4-yl)-9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)carbazole |
| SMILES | CC1(C)c2ccccc2-c2c(-c3cccc4c5ccccc5n(-c5nc(-c6ccccc6)nc(-c6ccc7c8ccccc8c8ccccc8c7c6)n5)c34)cccc21.CC1(C)c2ccccc2-c2cc(-c3cccc4c5ccccc5n(-c5nc(-c6ccccc6)nc(-c6ccc7c8ccccc8c8ccccc8c7c6)n5)c34)ccc21.CC1(C)c2ccccc2-c2ccc(-c3cccc4c5ccccc5n(-c5nc(-c6ccccc6)nc(-c6ccc7c8ccccc8c8ccccc8c7c6)n5)c34)cc21.CC1(C)c2ccccc2-c2cccc(-c3cccc4c5ccccc5n(-c5nc(-c6ccccc6)nc(-c6ccc7c8ccccc8c8ccccc8c7c6)n5)c34)c21 |
| InChI | InChI=1S/4C54H36N4/c1-54(2)46-27-12-10-23-44(46)49-41(24-15-28-47(49)54)43-26-14-25-42-40-22-11-13-29-48(40)58(50(42)43)53-56-51(33-16-4-3-5-17-33)55-52(57-53)34-30-31-39-37-20-7-6-18-35(37)36-19-8-9-21-38(36)45(39)32-34;1-54(2)47-28-12-10-22-40(47)42-24-14-25-43(49(42)54)45-27-15-26-44-41-23-11-13-29-48(41)58(50(44)45)53-56-51(33-16-4-3-5-17-33)55-52(57-53)34-30-31-39-37-20-7-6-18-35(37)36-19-8-9-21-38(36)46(39)32-34;1-54(2)47-25-12-10-21-42(47)43-30-27-34(32-48(43)54)36-23-14-24-45-44-22-11-13-26-49(44)58(50(36)45)53-56-51(33-15-4-3-5-16-33)55-52(57-53)35-28-29-41-39-19-7-6-17-37(39)38-18-8-9-20-40(38)46(41)31-35;1-54(2)47-25-12-10-21-42(47)46-31-34(28-30-48(46)54)36-23-14-24-44-43-22-11-13-26-49(43)58(50(36)44)53-56-51(33-15-4-3-5-16-33)55-52(57-53)35-27-29-41-39-19-7-6-17-37(39)38-18-8-9-20-40(38)45(41)32-35/h4*3-32H,1-2H3 |
| InChIKey | BDFRPXMXLPUDTA-UHFFFAOYSA-N |
| XLogP | 54.94 |
| TPSA | 174.40 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 232 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2963.64 |
| LogP ≤ 5 | 54.94 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
|---|