C384H240N16O8S8 — CID 158909916
9-phenyl-4-(3-pyridin-2-yl-9,9'-spirobi[thioxanthene]-1'-yl)carbazole;9-phenyl-4-(3-pyridin-2-yl-9,9'-spirobi[thioxanthene]-2'-yl)carbazole;9-phenyl-4-(3'-pyridin-2-yl-9,9'-spirobi[thioxanthene]-3-yl)carbazole;9-phenyl-4-(3-pyridin-2-yl-9,9'-spirobi[thioxanthene]-4'-yl)carbazole;9-phenyl-4-(6-pyridin-2-yl-9,9'-spirobi[xanthene]-1-yl)carbazole;9-phenyl-4-(6-pyridin-2-yl-9,9'-spirobi[xanthene]-2-yl)carbazole;9-phenyl-4-(6-pyridin-2-yl-9,9'-spirobi[xanthene]-3-yl)carbazole;9-phenyl-4-(6-pyridin-2-yl-9,9'-spirobi[xanthene]-4-yl)carbazole (PubChem CID 158909916) has the molecular formula C384H240N16O8S8 and a molecular weight of 5462.78 g/mol. Its IUPAC name is 9-phenyl-4-(3-pyridin-2-yl-9,9'-spirobi[thioxanthene]-1'-yl)carbazole;9-phenyl-4-(3-pyridin-2-yl-9,9'-spirobi[thioxanthene]-2'-yl)carbazole;9-phenyl-4-(3'-pyridin-2-yl-9,9'-spirobi[thioxanthene]-3-yl)carbazole;9-phenyl-4-(3-pyridin-2-yl-9,9'-spirobi[thioxanthene]-4'-yl)carbazole;9-phenyl-4-(6-pyridin-2-yl-9,9'-spirobi[xanthene]-1-yl)carbazole;9-phenyl-4-(6-pyridin-2-yl-9,9'-spirobi[xanthene]-2-yl)carbazole;9-phenyl-4-(6-pyridin-2-yl-9,9'-spirobi[xanthene]-3-yl)carbazole;9-phenyl-4-(6-pyridin-2-yl-9,9'-spirobi[xanthene]-4-yl)carbazole.
| Compound Name | 9-phenyl-4-(3-pyridin-2-yl-9,9'-spirobi[thioxanthene]-1'-yl)carbazole;9-phenyl-4-(3-pyridin-2-yl-9,9'-spirobi[thioxanthene]-2'-yl)carbazole;9-phenyl-4-(3'-pyridin-2-yl-9,9'-spirobi[thioxanthene]-3-yl)carbazole;9-phenyl-4-(3-pyridin-2-yl-9,9'-spirobi[thioxanthene]-4'-yl)carbazole;9-phenyl-4-(6-pyridin-2-yl-9,9'-spirobi[xanthene]-1-yl)carbazole;9-phenyl-4-(6-pyridin-2-yl-9,9'-spirobi[xanthene]-2-yl)carbazole;9-phenyl-4-(6-pyridin-2-yl-9,9'-spirobi[xanthene]-3-yl)carbazole;9-phenyl-4-(6-pyridin-2-yl-9,9'-spirobi[xanthene]-4-yl)carbazole |
|---|---|
| PubChem CID | 158909916 |
| Molecular Formula | C384H240N16O8S8 |
| Molecular Weight | 5462.78 g/mol |
| Exact Mass | 5457.66 |
| IUPAC Name | 9-phenyl-4-(3-pyridin-2-yl-9,9'-spirobi[thioxanthene]-1'-yl)carbazole;9-phenyl-4-(3-pyridin-2-yl-9,9'-spirobi[thioxanthene]-2'-yl)carbazole;9-phenyl-4-(3'-pyridin-2-yl-9,9'-spirobi[thioxanthene]-3-yl)carbazole;9-phenyl-4-(3-pyridin-2-yl-9,9'-spirobi[thioxanthene]-4'-yl)carbazole;9-phenyl-4-(6-pyridin-2-yl-9,9'-spirobi[xanthene]-1-yl)carbazole;9-phenyl-4-(6-pyridin-2-yl-9,9'-spirobi[xanthene]-2-yl)carbazole;9-phenyl-4-(6-pyridin-2-yl-9,9'-spirobi[xanthene]-3-yl)carbazole;9-phenyl-4-(6-pyridin-2-yl-9,9'-spirobi[xanthene]-4-yl)carbazole |
| SMILES | c1ccc(-n2c3ccccc3c3c(-c4ccc5c(c4)C4(c6ccccc6Oc6ccccc64)c4ccc(-c6ccccn6)cc4O5)cccc32)cc1.c1ccc(-n2c3ccccc3c3c(-c4ccc5c(c4)C4(c6ccccc6Sc6cc(-c7ccccn7)ccc64)c4ccccc4S5)cccc32)cc1.c1ccc(-n2c3ccccc3c3c(-c4ccc5c(c4)Oc4cc(-c6ccccn6)ccc4C54c5ccccc5Oc5ccccc54)cccc32)cc1.c1ccc(-n2c3ccccc3c3c(-c4ccc5c(c4)Sc4ccccc4C54c5ccccc5Sc5cc(-c6ccccn6)ccc54)cccc32)cc1.c1ccc(-n2c3ccccc3c3c(-c4cccc5c4C4(c6ccccc6Oc6ccccc64)c4ccc(-c6ccccn6)cc4O5)cccc32)cc1.c1ccc(-n2c3ccccc3c3c(-c4cccc5c4C4(c6ccccc6Sc6cc(-c7ccccn7)ccc64)c4ccccc4S5)cccc32)cc1.c1ccc(-n2c3ccccc3c3c(-c4cccc5c4Oc4cc(-c6ccccn6)ccc4C54c5ccccc5Oc5ccccc54)cccc32)cc1.c1ccc(-n2c3ccccc3c3c(-c4cccc5c4Sc4ccccc4C54c5ccccc5Sc5cc(-c6ccccn6)ccc54)cccc32)cc1 |
| InChI | InChI=1S/4C48H30N2O2.4C48H30N2S2/c1-2-14-32(15-3-1)50-41-23-7-4-16-35(41)46-33(17-13-24-42(46)50)34-18-12-21-39-47(34)52-45-30-31(40-22-10-11-29-49-40)27-28-38(45)48(39)36-19-5-8-25-43(36)51-44-26-9-6-20-37(44)48;1-2-14-32(15-3-1)50-40-22-7-4-16-35(40)46-33(17-12-23-41(46)50)34-18-13-26-44-47(34)48(36-19-5-8-24-42(36)51-43-25-9-6-20-37(43)48)38-28-27-31(30-45(38)52-44)39-21-10-11-29-49-39;1-2-13-33(14-3-1)50-41-20-7-4-15-35(41)47-34(16-12-21-42(47)50)31-25-27-45-39(29-31)48(36-17-5-8-22-43(36)51-44-23-9-6-18-37(44)48)38-26-24-32(30-46(38)52-45)40-19-10-11-28-49-40;1-2-13-33(14-3-1)50-41-20-7-4-15-35(41)47-34(16-12-21-42(47)50)31-24-26-38-45(29-31)52-46-30-32(40-19-10-11-28-49-40)25-27-39(46)48(38)36-17-5-8-22-43(36)51-44-23-9-6-18-37(44)48;1-2-14-32(15-3-1)50-41-23-7-4-16-35(41)46-33(17-13-24-42(46)50)34-18-12-21-39-47(34)52-44-26-9-6-20-37(44)48(39)36-19-5-8-25-43(36)51-45-30-31(27-28-38(45)48)40-22-10-11-29-49-40;1-2-14-32(15-3-1)50-40-22-7-4-16-35(40)46-33(17-12-23-41(46)50)34-18-13-26-44-47(34)48(36-19-5-8-24-42(36)51-44)37-20-6-9-25-43(37)52-45-30-31(27-28-38(45)48)39-21-10-11-29-49-39;1-2-13-33(14-3-1)50-41-20-7-4-15-35(41)47-34(16-12-21-42(47)50)31-25-27-45-39(29-31)48(36-17-5-8-22-43(36)51-45)37-18-6-9-23-44(37)52-46-30-32(24-26-38(46)48)40-19-10-11-28-49-40;1-2-13-33(14-3-1)50-41-20-7-4-15-35(41)47-34(16-12-21-42(47)50)31-24-26-38-45(29-31)51-43-22-8-5-17-36(43)48(38)37-18-6-9-23-44(37)52-46-30-32(25-27-39(46)48)40-19-10-11-28-49-40/h8*1-30H |
| InChIKey | JGMZSQLRIAVOIV-UHFFFAOYSA-N |
| XLogP | 99.73 |
| TPSA | 216.40 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 32 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 416 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5462.78 |
| LogP ≤ 5 | 99.73 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 32 |