C229H150N18O3 — CID 159261393
2-[3-(8-dibenzofuran-1-yldibenzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-bis(4-methylphenyl)fluoren-2-yl]-9-phenylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]carbazole;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-tritylphenyl]-9-phenylcarbazole (PubChem CID 159261393) has the molecular formula C229H150N18O3 and a molecular weight of 3201.84 g/mol. Its IUPAC name is 2-[3-(8-dibenzofuran-1-yldibenzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-bis(4-methylphenyl)fluoren-2-yl]-9-phenylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]carbazole;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-tritylphenyl]-9-phenylcarbazole.
| Compound Name | 2-[3-(8-dibenzofuran-1-yldibenzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-bis(4-methylphenyl)fluoren-2-yl]-9-phenylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]carbazole;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-tritylphenyl]-9-phenylcarbazole |
|---|---|
| PubChem CID | 159261393 |
| Molecular Formula | C229H150N18O3 |
| Molecular Weight | 3201.84 g/mol |
| Exact Mass | 3199.21 |
| IUPAC Name | 2-[3-(8-dibenzofuran-1-yldibenzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-bis(4-methylphenyl)fluoren-2-yl]-9-phenylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]carbazole;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-tritylphenyl]-9-phenylcarbazole |
| SMILES | Cc1ccc(C2(c3ccc(C)cc3)c3ccccc3-c3c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc32)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc(C(c4ccccc4)(c4ccccc4)c4ccccc4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7oc8cccc(-c9cccc(-c%10nc(-c%11ccccc%11)nc(-c%11ccccc%11)n%10)c9)c8c7c6)ccc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5oc6ccc(-c7cccc8oc9ccccc9c78)cc6c45)c3)n2)cc1 |
| InChI | InChI=1S/C66H41N7O.C60H42N4.C58H40N4.C45H27N3O2/c1-5-17-42(18-6-1)61-67-62(43-19-7-2-8-20-43)70-65(69-61)46-31-35-51(36-32-46)73-56-29-14-13-27-53(56)54-40-47(33-37-57(54)73)48-34-38-58-55(41-48)60-52(28-16-30-59(60)74-58)49-25-15-26-50(39-49)66-71-63(44-21-9-3-10-22-44)68-64(72-66)45-23-11-4-12-24-45;1-39-26-31-45(32-27-39)60(46-33-28-40(2)29-34-46)52-24-14-12-23-49(52)56-51(59-62-57(41-16-6-3-7-17-41)61-58(63-59)42-18-8-4-9-19-42)37-44(38-53(56)60)43-30-35-55-50(36-43)48-22-13-15-25-54(48)64(55)47-20-10-5-11-21-47;1-7-21-41(22-8-1)55-59-56(42-23-9-2-10-24-42)61-57(60-55)45-37-44(43-35-36-54-52(40-43)51-33-19-20-34-53(51)62(54)50-31-17-6-18-32-50)38-49(39-45)58(46-25-11-3-12-26-46,47-27-13-4-14-28-47)48-29-15-5-16-30-48;1-3-12-28(13-4-1)43-46-44(29-14-5-2-6-15-29)48-45(47-43)32-17-9-16-30(26-32)33-19-10-23-40-42(33)36-27-31(24-25-38(36)50-40)34-20-11-22-39-41(34)35-18-7-8-21-37(35)49-39/h1-41H;3-38H,1-2H3;1-40H;1-27H |
| InChIKey | KWNZZUAUZNUBLT-UHFFFAOYSA-N |
| XLogP | 57.03 |
| TPSA | 247.56 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 250 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3201.84 |
| LogP ≤ 5 | 57.03 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 21 |
| Structural Alerts | {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'} |
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