C236H144N13O2PS10 — CID 165058861
2-dibenzothiophen-4-yl-1-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-phenylthieno[2,3-c]quinoline;2-dibenzothiophen-4-yl-4-phenyl-1-[4-(1-phenylbenzimidazol-2-yl)phenyl]thieno[2,3-c]quinoline;2-dibenzothiophen-4-yl-4-phenyl-1-[4-(2-phenylquinazolin-4-yl)phenyl]thieno[2,3-c]quinoline;2-[4-(2-dibenzothiophen-4-yl-4-phenylthieno[2,3-c]quinolin-1-yl)phenyl]-1,3-benzoxazole;[4-(2-dibenzothiophen-4-yl-4-phenylthieno[2,3-c]quinolin-1-yl)phenyl]-diphenylphosphane;hydrate (PubChem CID 165058861) has the molecular formula C236H144N13O2PS10 and a molecular weight of 3545.48 g/mol. Its IUPAC name is 2-dibenzothiophen-4-yl-1-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-phenylthieno[2,3-c]quinoline;2-dibenzothiophen-4-yl-4-phenyl-1-[4-(1-phenylbenzimidazol-2-yl)phenyl]thieno[2,3-c]quinoline;2-dibenzothiophen-4-yl-4-phenyl-1-[4-(2-phenylquinazolin-4-yl)phenyl]thieno[2,3-c]quinoline;2-[4-(2-dibenzothiophen-4-yl-4-phenylthieno[2,3-c]quinolin-1-yl)phenyl]-1,3-benzoxazole;[4-(2-dibenzothiophen-4-yl-4-phenylthieno[2,3-c]quinolin-1-yl)phenyl]-diphenylphosphane;hydrate.
| Compound Name | 2-dibenzothiophen-4-yl-1-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-phenylthieno[2,3-c]quinoline;2-dibenzothiophen-4-yl-4-phenyl-1-[4-(1-phenylbenzimidazol-2-yl)phenyl]thieno[2,3-c]quinoline;2-dibenzothiophen-4-yl-4-phenyl-1-[4-(2-phenylquinazolin-4-yl)phenyl]thieno[2,3-c]quinoline;2-[4-(2-dibenzothiophen-4-yl-4-phenylthieno[2,3-c]quinolin-1-yl)phenyl]-1,3-benzoxazole;[4-(2-dibenzothiophen-4-yl-4-phenylthieno[2,3-c]quinolin-1-yl)phenyl]-diphenylphosphane;hydrate |
|---|---|
| PubChem CID | 165058861 |
| Molecular Formula | C236H144N13O2PS10 |
| Molecular Weight | 3545.48 g/mol |
| Exact Mass | 3541.85 |
| IUPAC Name | 2-dibenzothiophen-4-yl-1-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-phenylthieno[2,3-c]quinoline;2-dibenzothiophen-4-yl-4-phenyl-1-[4-(1-phenylbenzimidazol-2-yl)phenyl]thieno[2,3-c]quinoline;2-dibenzothiophen-4-yl-4-phenyl-1-[4-(2-phenylquinazolin-4-yl)phenyl]thieno[2,3-c]quinoline;2-[4-(2-dibenzothiophen-4-yl-4-phenylthieno[2,3-c]quinolin-1-yl)phenyl]-1,3-benzoxazole;[4-(2-dibenzothiophen-4-yl-4-phenylthieno[2,3-c]quinolin-1-yl)phenyl]-diphenylphosphane;hydrate |
| SMILES | O.c1ccc(-c2nc(-c3ccc(-c4c(-c5cccc6c5sc5ccccc56)sc5c(-c6ccccc6)nc6ccccc6c45)cc3)c3ccccc3n2)cc1.c1ccc(-c2nc3ccccc3c3c(-c4ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc4)c(-c4cccc5c4sc4ccccc45)sc23)cc1.c1ccc(-c2nc3ccccc3c3c(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)c(-c4cccc5c4sc4ccccc45)sc23)cc1.c1ccc(-c2nc3ccccc3c3c(-c4ccc(-c5nc6ccccc6o5)cc4)c(-c4cccc5c4sc4ccccc45)sc23)cc1.c1ccc(-c2nc3ccccc3c3c(-c4ccc(P(c5ccccc5)c5ccccc5)cc4)c(-c4cccc5c4sc4ccccc45)sc23)cc1 |
| InChI | InChI=1S/C50H30N4S2.C49H29N3S2.C48H29N3S2.C47H30NPS2.C42H24N2OS2.H2O/c1-2-13-33(14-3-1)47-50-46(37-16-4-6-19-39(37)54-47)45(49(56-50)38-18-12-17-36-35-15-5-7-22-44(35)55-48(36)38)32-25-23-31(24-26-32)34-29-42(40-20-8-10-27-51-40)53-43(30-34)41-21-9-11-28-52-41;1-3-14-31(15-4-1)45-48-43(36-19-7-10-23-39(36)50-45)42(47(54-48)38-22-13-21-35-34-18-9-12-25-41(34)53-46(35)38)30-26-28-32(29-27-30)44-37-20-8-11-24-40(37)51-49(52-44)33-16-5-2-6-17-33;1-3-14-31(15-4-1)44-47-43(36-19-7-9-22-38(36)49-44)42(46(53-47)37-21-13-20-35-34-18-8-12-25-41(34)52-45(35)37)30-26-28-32(29-27-30)48-50-39-23-10-11-24-40(39)51(48)33-16-5-2-6-17-33;1-4-15-32(16-5-1)44-47-43(38-22-10-12-25-40(38)48-44)42(46(51-47)39-24-14-23-37-36-21-11-13-26-41(36)50-45(37)39)31-27-29-35(30-28-31)49(33-17-6-2-7-18-33)34-19-8-3-9-20-34;1-2-11-26(12-3-1)38-41-37(30-14-4-6-17-32(30)43-38)36(25-21-23-27(24-22-25)42-44-33-18-7-8-19-34(33)45-42)40(47-41)31-16-10-15-29-28-13-5-9-20-35(28)46-39(29)31;/h1-30H;1-29H;1-29H;1-30H;1-24H;1H2 |
| InChIKey | MBZKZZLXMLRTMT-UHFFFAOYSA-N |
| XLogP | 66.30 |
| TPSA | 204.25 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 262 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3545.48 |
| LogP ≤ 5 | 66.30 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 24 |
| Structural Alerts | {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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