C210H124N16O4 — CID 165046087
5-[1-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole;5-[1-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole;5-[1-(4-naphthalen-1-yl-6-phenanthren-9-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole;5-[1-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole (PubChem CID 165046087) has the molecular formula C210H124N16O4 and a molecular weight of 2935.41 g/mol. Its IUPAC name is 5-[1-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole;5-[1-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole;5-[1-(4-naphthalen-1-yl-6-phenanthren-9-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole;5-[1-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole.
| Compound Name | 5-[1-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole;5-[1-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole;5-[1-(4-naphthalen-1-yl-6-phenanthren-9-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole;5-[1-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole |
|---|---|
| PubChem CID | 165046087 |
| Molecular Formula | C210H124N16O4 |
| Molecular Weight | 2935.41 g/mol |
| Exact Mass | 2933.00 |
| IUPAC Name | 5-[1-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole;5-[1-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole;5-[1-(4-naphthalen-1-yl-6-phenanthren-9-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole;5-[1-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole |
| SMILES | c1ccc(-c2ccc(-c3nc(-c4cccc5ccccc45)nc(-c4cc(-n5c6ccccc6c6cc7ccccc7cc65)cc5oc6ccccc6c45)n3)cc2)cc1.c1ccc2cc(-c3nc(-c4cccc5ccccc45)nc(-c4cc(-n5c6ccccc6c6cc7ccccc7cc65)cc5oc6ccccc6c45)n3)ccc2c1.c1ccc2cc3c(cc2c1)c1ccccc1n3-c1cc(-c2nc(-c3cccc4ccccc34)nc(-c3cc4ccccc4c4ccccc34)n2)c2c(c1)oc1ccccc12.c1ccc2cc3c(cc2c1)c1ccccc1n3-c1cc(-c2nc(-c3cccc4ccccc34)nc(-c3cccc4ccccc34)n2)c2c(c1)oc1ccccc12 |
| InChI | InChI=1S/C55H32N4O.C53H32N4O.2C51H30N4O/c1-2-16-35-30-49-45(28-34(35)15-1)42-23-9-11-26-48(42)59(49)37-31-47(52-44-24-10-12-27-50(44)60-51(52)32-37)55-57-53(43-25-13-18-33-14-3-5-19-38(33)43)56-54(58-55)46-29-36-17-4-6-20-39(36)40-21-7-8-22-41(40)46;1-2-13-33(14-3-1)34-25-27-36(28-26-34)51-54-52(42-22-12-18-35-15-6-7-19-40(35)42)56-53(55-51)45-31-39(32-49-50(45)43-21-9-11-24-48(43)58-49)57-46-23-10-8-20-41(46)44-29-37-16-4-5-17-38(37)30-47(44)57;1-2-16-34-28-45-42(27-33(34)15-1)38-21-7-9-25-44(38)55(45)35-29-43(48-41-22-8-10-26-46(41)56-47(48)30-35)51-53-49(39-23-11-17-31-13-3-5-19-36(31)39)52-50(54-51)40-24-12-18-32-14-4-6-20-37(32)40;1-2-14-33-26-36(25-24-31(33)12-1)49-52-50(40-21-11-17-32-13-5-6-18-38(32)40)54-51(53-49)43-29-37(30-47-48(43)41-20-8-10-23-46(41)56-47)55-44-22-9-7-19-39(44)42-27-34-15-3-4-16-35(34)28-45(42)55/h1-32H;1-32H;2*1-30H |
| InChIKey | OXMMMGNQBGWKBS-UHFFFAOYSA-N |
| XLogP | 54.98 |
| TPSA | 226.96 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 17 |
| Heavy Atoms | 230 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2935.41 |
| LogP ≤ 5 | 54.98 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 20 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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