C208H139N9O6S2Si — CID 159930602
5-dibenzothiophen-4-yloxy-10-phenylbenzo[g]isoquinoline;5-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)oxy-10-phenylbenzo[g]isoquinoline;2-(10-phenylbenzo[g]isoquinolin-5-yl)oxy-1,10-phenanthroline;2-[4-(10-phenylbenzo[g]isoquinolin-5-yl)oxyphenyl]-1,3-benzothiazole;10-phenyl-5-(9,9'-spirobi[fluorene]-4-yloxy)benzo[g]isoquinoline;10-phenyl-5-spiro[cyclohexane-1,9'-fluorene]-4'-yloxybenzo[g]isoquinoline (PubChem CID 159930602) has the molecular formula C208H139N9O6S2Si and a molecular weight of 2952.68 g/mol. Its IUPAC name is 5-dibenzothiophen-4-yloxy-10-phenylbenzo[g]isoquinoline;5-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)oxy-10-phenylbenzo[g]isoquinoline;2-(10-phenylbenzo[g]isoquinolin-5-yl)oxy-1,10-phenanthroline;2-[4-(10-phenylbenzo[g]isoquinolin-5-yl)oxyphenyl]-1,3-benzothiazole;10-phenyl-5-(9,9'-spirobi[fluorene]-4-yloxy)benzo[g]isoquinoline;10-phenyl-5-spiro[cyclohexane-1,9'-fluorene]-4'-yloxybenzo[g]isoquinoline.
| Compound Name | 5-dibenzothiophen-4-yloxy-10-phenylbenzo[g]isoquinoline;5-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)oxy-10-phenylbenzo[g]isoquinoline;2-(10-phenylbenzo[g]isoquinolin-5-yl)oxy-1,10-phenanthroline;2-[4-(10-phenylbenzo[g]isoquinolin-5-yl)oxyphenyl]-1,3-benzothiazole;10-phenyl-5-(9,9'-spirobi[fluorene]-4-yloxy)benzo[g]isoquinoline;10-phenyl-5-spiro[cyclohexane-1,9'-fluorene]-4'-yloxybenzo[g]isoquinoline |
|---|---|
| PubChem CID | 159930602 |
| Molecular Formula | C208H139N9O6S2Si |
| Molecular Weight | 2952.68 g/mol |
| Exact Mass | 2950.01 |
| IUPAC Name | 5-dibenzothiophen-4-yloxy-10-phenylbenzo[g]isoquinoline;5-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)oxy-10-phenylbenzo[g]isoquinoline;2-(10-phenylbenzo[g]isoquinolin-5-yl)oxy-1,10-phenanthroline;2-[4-(10-phenylbenzo[g]isoquinolin-5-yl)oxyphenyl]-1,3-benzothiazole;10-phenyl-5-(9,9'-spirobi[fluorene]-4-yloxy)benzo[g]isoquinoline;10-phenyl-5-spiro[cyclohexane-1,9'-fluorene]-4'-yloxybenzo[g]isoquinoline |
| SMILES | C[Si]1(C)c2ccccc2-c2cc(Oc3c4ccccc4c(-c4ccccc4)c4cnccc34)ccc21.c1ccc(-c2c3ccccc3c(Oc3ccc(-c4nc5ccccc5s4)cc3)c3ccncc23)cc1.c1ccc(-c2c3ccccc3c(Oc3ccc4ccc5cccnc5c4n3)c3ccncc23)cc1.c1ccc(-c2c3ccccc3c(Oc3cccc4c3-c3ccccc3C43CCCCC3)c3ccncc23)cc1.c1ccc(-c2c3ccccc3c(Oc3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)c3ccncc23)cc1.c1ccc(-c2c3ccccc3c(Oc3cccc4c3sc3ccccc34)c3ccncc23)cc1 |
| InChI | InChI=1S/C44H27NO.C37H29NO.C33H25NOSi.C32H20N2OS.C31H19N3O.C31H19NOS/c1-2-13-28(14-3-1)41-31-17-4-5-18-32(31)43(33-25-26-45-27-35(33)41)46-40-24-12-23-39-42(40)34-19-8-11-22-38(34)44(39)36-20-9-6-15-29(36)30-16-7-10-21-37(30)44;1-3-12-25(13-4-1)34-26-14-5-6-15-27(26)36(28-20-23-38-24-30(28)34)39-33-19-11-18-32-35(33)29-16-7-8-17-31(29)37(32)21-9-2-10-22-37;1-36(2)30-15-9-8-12-24(30)28-20-23(16-17-31(28)36)35-33-26-14-7-6-13-25(26)32(22-10-4-3-5-11-22)29-21-34-19-18-27(29)33;1-2-8-21(9-3-1)30-24-10-4-5-11-25(24)31(26-18-19-33-20-27(26)30)35-23-16-14-22(15-17-23)32-34-28-12-6-7-13-29(28)36-32;1-2-7-20(8-3-1)28-23-10-4-5-11-24(23)31(25-16-18-32-19-26(25)28)35-27-15-14-22-13-12-21-9-6-17-33-29(21)30(22)34-27;1-2-9-20(10-3-1)29-22-12-4-5-13-23(22)30(24-17-18-32-19-26(24)29)33-27-15-8-14-25-21-11-6-7-16-28(21)34-31(25)27/h1-27H;1,3-8,11-20,23-24H,2,9-10,21-22H2;3-21H,1-2H3;1-20H;1-19H;1-19H |
| InChIKey | NZOYVWCAPITVRV-UHFFFAOYSA-N |
| XLogP | 55.20 |
| TPSA | 171.39 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 226 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2952.68 |
| LogP ≤ 5 | 55.20 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 17 |
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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