C384H240N16S16 — CID 159692773
9-phenyl-1-(3-pyridin-2-yl-9,9'-spirobi[thioxanthene]-1'-yl)carbazole;9-phenyl-1-(3-pyridin-2-yl-9,9'-spirobi[thioxanthene]-2'-yl)carbazole;9-phenyl-1-(3'-pyridin-2-yl-9,9'-spirobi[thioxanthene]-3-yl)carbazole;9-phenyl-1-(3-pyridin-2-yl-9,9'-spirobi[thioxanthene]-4'-yl)carbazole;9-phenyl-1-(6-pyridin-2-yl-9,9'-spirobi[thioxanthene]-3-yl)carbazole;9-phenyl-1-(6-pyridin-2-yl-9,9'-spirobi[thioxanthene]-4-yl)carbazole;9-phenyl-2-(3-pyridin-2-yl-9,9'-spirobi[thioxanthene]-1'-yl)carbazole;9-phenyl-2-(3-pyridin-2-yl-9,9'-spirobi[thioxanthene]-2'-yl)carbazole (PubChem CID 159692773) has the molecular formula C384H240N16S16 and a molecular weight of 5591.33 g/mol. Its IUPAC name is 9-phenyl-1-(3-pyridin-2-yl-9,9'-spirobi[thioxanthene]-1'-yl)carbazole;9-phenyl-1-(3-pyridin-2-yl-9,9'-spirobi[thioxanthene]-2'-yl)carbazole;9-phenyl-1-(3'-pyridin-2-yl-9,9'-spirobi[thioxanthene]-3-yl)carbazole;9-phenyl-1-(3-pyridin-2-yl-9,9'-spirobi[thioxanthene]-4'-yl)carbazole;9-phenyl-1-(6-pyridin-2-yl-9,9'-spirobi[thioxanthene]-3-yl)carbazole;9-phenyl-1-(6-pyridin-2-yl-9,9'-spirobi[thioxanthene]-4-yl)carbazole;9-phenyl-2-(3-pyridin-2-yl-9,9'-spirobi[thioxanthene]-1'-yl)carbazole;9-phenyl-2-(3-pyridin-2-yl-9,9'-spirobi[thioxanthene]-2'-yl)carbazole.
| Compound Name | 9-phenyl-1-(3-pyridin-2-yl-9,9'-spirobi[thioxanthene]-1'-yl)carbazole;9-phenyl-1-(3-pyridin-2-yl-9,9'-spirobi[thioxanthene]-2'-yl)carbazole;9-phenyl-1-(3'-pyridin-2-yl-9,9'-spirobi[thioxanthene]-3-yl)carbazole;9-phenyl-1-(3-pyridin-2-yl-9,9'-spirobi[thioxanthene]-4'-yl)carbazole;9-phenyl-1-(6-pyridin-2-yl-9,9'-spirobi[thioxanthene]-3-yl)carbazole;9-phenyl-1-(6-pyridin-2-yl-9,9'-spirobi[thioxanthene]-4-yl)carbazole;9-phenyl-2-(3-pyridin-2-yl-9,9'-spirobi[thioxanthene]-1'-yl)carbazole;9-phenyl-2-(3-pyridin-2-yl-9,9'-spirobi[thioxanthene]-2'-yl)carbazole |
|---|---|
| PubChem CID | 159692773 |
| Molecular Formula | C384H240N16S16 |
| Molecular Weight | 5591.33 g/mol |
| Exact Mass | 5585.48 |
| IUPAC Name | 9-phenyl-1-(3-pyridin-2-yl-9,9'-spirobi[thioxanthene]-1'-yl)carbazole;9-phenyl-1-(3-pyridin-2-yl-9,9'-spirobi[thioxanthene]-2'-yl)carbazole;9-phenyl-1-(3'-pyridin-2-yl-9,9'-spirobi[thioxanthene]-3-yl)carbazole;9-phenyl-1-(3-pyridin-2-yl-9,9'-spirobi[thioxanthene]-4'-yl)carbazole;9-phenyl-1-(6-pyridin-2-yl-9,9'-spirobi[thioxanthene]-3-yl)carbazole;9-phenyl-1-(6-pyridin-2-yl-9,9'-spirobi[thioxanthene]-4-yl)carbazole;9-phenyl-2-(3-pyridin-2-yl-9,9'-spirobi[thioxanthene]-1'-yl)carbazole;9-phenyl-2-(3-pyridin-2-yl-9,9'-spirobi[thioxanthene]-2'-yl)carbazole |
| SMILES | c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)C4(c6ccccc6Sc6cc(-c7ccccn7)ccc64)c4ccccc4S5)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4cccc5c4C4(c6ccccc6Sc6cc(-c7ccccn7)ccc64)c4ccccc4S5)cc32)cc1.c1ccc(-n2c3ccccc3c3cccc(-c4ccc5c(c4)C4(c6ccccc6Sc6cc(-c7ccccn7)ccc64)c4ccccc4S5)c32)cc1.c1ccc(-n2c3ccccc3c3cccc(-c4ccc5c(c4)Sc4cc(-c6ccccn6)ccc4C54c5ccccc5Sc5ccccc54)c32)cc1.c1ccc(-n2c3ccccc3c3cccc(-c4ccc5c(c4)Sc4ccccc4C54c5ccccc5Sc5cc(-c6ccccn6)ccc54)c32)cc1.c1ccc(-n2c3ccccc3c3cccc(-c4cccc5c4C4(c6ccccc6Sc6cc(-c7ccccn7)ccc64)c4ccccc4S5)c32)cc1.c1ccc(-n2c3ccccc3c3cccc(-c4cccc5c4Sc4cc(-c6ccccn6)ccc4C54c5ccccc5Sc5ccccc54)c32)cc1.c1ccc(-n2c3ccccc3c3cccc(-c4cccc5c4Sc4ccccc4C54c5ccccc5Sc5cc(-c6ccccn6)ccc54)c32)cc1 |
| InChI | InChI=1S/8C48H30N2S2/c1-2-14-32(15-3-1)50-41-23-7-4-16-33(41)35-18-12-19-36(47(35)50)34-17-13-26-44-46(34)48(37-20-5-8-24-42(37)51-44)38-21-6-9-25-43(38)52-45-30-31(27-28-39(45)48)40-22-10-11-29-49-40;1-2-14-32(15-3-1)50-42-24-7-4-16-33(42)34-17-12-18-35(46(34)50)36-19-13-22-40-47(36)52-44-26-9-6-21-38(44)48(40)37-20-5-8-25-43(37)51-45-30-31(27-28-39(45)48)41-23-10-11-29-49-41;1-2-14-32(15-3-1)50-42-24-7-4-16-33(42)34-17-12-18-35(46(34)50)36-19-13-22-40-47(36)52-45-30-31(41-23-10-11-29-49-41)27-28-39(45)48(40)37-20-5-8-25-43(37)51-44-26-9-6-21-38(44)48;1-2-13-33(14-3-1)50-42-21-7-4-15-35(42)36-17-12-16-34(47(36)50)31-25-27-45-40(29-31)48(37-18-5-8-22-43(37)51-45)38-19-6-9-23-44(38)52-46-30-32(24-26-39(46)48)41-20-10-11-28-49-41;1-2-13-33(14-3-1)50-42-21-7-4-15-35(42)36-17-12-16-34(47(36)50)31-24-26-39-45(29-31)51-43-22-8-5-18-37(43)48(39)38-19-6-9-23-44(38)52-46-30-32(25-27-40(46)48)41-20-10-11-28-49-41;1-2-13-33(14-3-1)50-42-21-7-4-15-35(42)36-17-12-16-34(47(36)50)31-24-26-39-45(29-31)52-46-30-32(41-20-10-11-28-49-41)25-27-40(46)48(39)37-18-5-8-22-43(37)51-44-23-9-6-19-38(44)48;1-2-13-33(14-3-1)50-41-20-7-4-15-35(41)36-26-24-31(29-42(36)50)34-16-12-23-45-47(34)48(37-17-5-8-21-43(37)51-45)38-18-6-9-22-44(38)52-46-30-32(25-27-39(46)48)40-19-10-11-28-49-40;1-2-12-34(13-3-1)50-42-18-7-4-14-35(42)36-24-21-32(29-43(36)50)31-23-26-46-40(28-31)48(37-15-5-8-19-44(37)51-46)38-16-6-9-20-45(38)52-47-30-33(22-25-39(47)48)41-17-10-11-27-49-41/h8*1-30H |
| InChIKey | MWPWUUBQQQEUHD-UHFFFAOYSA-N |
| XLogP | 102.60 |
| TPSA | 142.56 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 32 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 416 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5591.33 |
| LogP ≤ 5 | 102.60 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 32 |