C144H91N7O — CID 158509245
7,7-dimethyl-5-(3-triphenylen-2-ylphenyl)indeno[2,1-b]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-triphenylen-2-ylphenyl)indolo[3,2-b]carbazole;7-(3-triphenylen-2-ylphenyl)-[1]benzofuro[2,3-b]carbazole (PubChem CID 158509245) has the molecular formula C144H91N7O and a molecular weight of 1935.36 g/mol. Its IUPAC name is 7,7-dimethyl-5-(3-triphenylen-2-ylphenyl)indeno[2,1-b]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-triphenylen-2-ylphenyl)indolo[3,2-b]carbazole;7-(3-triphenylen-2-ylphenyl)-[1]benzofuro[2,3-b]carbazole.
| Compound Name | 7,7-dimethyl-5-(3-triphenylen-2-ylphenyl)indeno[2,1-b]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-triphenylen-2-ylphenyl)indolo[3,2-b]carbazole;7-(3-triphenylen-2-ylphenyl)-[1]benzofuro[2,3-b]carbazole |
|---|---|
| PubChem CID | 158509245 |
| Molecular Formula | C144H91N7O |
| Molecular Weight | 1935.36 g/mol |
| Exact Mass | 1933.73 |
| IUPAC Name | 7,7-dimethyl-5-(3-triphenylen-2-ylphenyl)indeno[2,1-b]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-triphenylen-2-ylphenyl)indolo[3,2-b]carbazole;7-(3-triphenylen-2-ylphenyl)-[1]benzofuro[2,3-b]carbazole |
| SMILES | CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)c3cc21.c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-n2c3ccccc3c3cc4c(cc32)oc2ccccc24)c1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)n2)cc1 |
| InChI | InChI=1S/C57H35N5.C45H31N.C42H25NO/c1-3-16-36(17-4-1)55-58-56(37-18-5-2-6-19-37)60-57(59-55)62-52-29-14-12-27-47(52)50-34-53-49(35-54(50)62)46-26-11-13-28-51(46)61(53)40-21-15-20-38(32-40)39-30-31-45-43-24-8-7-22-41(43)42-23-9-10-25-44(42)48(45)33-39;1-45(2)41-20-9-7-18-36(41)39-26-40-37-19-8-10-21-43(37)46(44(40)27-42(39)45)30-13-11-12-28(24-30)29-22-23-35-33-16-4-3-14-31(33)32-15-5-6-17-34(32)38(35)25-29;1-2-14-31-29(12-1)30-13-3-4-15-32(30)36-23-27(20-21-33(31)36)26-10-9-11-28(22-26)43-39-18-7-5-16-34(39)37-24-38-35-17-6-8-19-41(35)44-42(38)25-40(37)43/h1-35H;3-27H,1-2H3;1-25H |
| InChIKey | HKVNSDWOVQZYPV-UHFFFAOYSA-N |
| XLogP | 38.55 |
| TPSA | 71.53 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Heavy Atoms | 152 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1935.36 |
| LogP ≤ 5 | 38.55 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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