C288H180N12O12 — CID 157373867
9-phenyl-2-(3-pyridin-2-yl-9,9'-spirobi[xanthene]-1'-yl)carbazole;9-phenyl-2-(3-pyridin-2-yl-9,9'-spirobi[xanthene]-2'-yl)carbazole;9-phenyl-2-(3'-pyridin-2-yl-9,9'-spirobi[xanthene]-3-yl)carbazole;9-phenyl-2-(3-pyridin-2-yl-9,9'-spirobi[xanthene]-4'-yl)carbazole;9-phenyl-3-(3-pyridin-2-yl-9,9'-spirobi[xanthene]-1'-yl)carbazole;9-phenyl-3-(3'-pyridin-2-yl-9,9'-spirobi[xanthene]-3-yl)carbazole (PubChem CID 157373867) has the molecular formula C288H180N12O12 and a molecular weight of 4000.68 g/mol. Its IUPAC name is 9-phenyl-2-(3-pyridin-2-yl-9,9'-spirobi[xanthene]-1'-yl)carbazole;9-phenyl-2-(3-pyridin-2-yl-9,9'-spirobi[xanthene]-2'-yl)carbazole;9-phenyl-2-(3'-pyridin-2-yl-9,9'-spirobi[xanthene]-3-yl)carbazole;9-phenyl-2-(3-pyridin-2-yl-9,9'-spirobi[xanthene]-4'-yl)carbazole;9-phenyl-3-(3-pyridin-2-yl-9,9'-spirobi[xanthene]-1'-yl)carbazole;9-phenyl-3-(3'-pyridin-2-yl-9,9'-spirobi[xanthene]-3-yl)carbazole.
| Compound Name | 9-phenyl-2-(3-pyridin-2-yl-9,9'-spirobi[xanthene]-1'-yl)carbazole;9-phenyl-2-(3-pyridin-2-yl-9,9'-spirobi[xanthene]-2'-yl)carbazole;9-phenyl-2-(3'-pyridin-2-yl-9,9'-spirobi[xanthene]-3-yl)carbazole;9-phenyl-2-(3-pyridin-2-yl-9,9'-spirobi[xanthene]-4'-yl)carbazole;9-phenyl-3-(3-pyridin-2-yl-9,9'-spirobi[xanthene]-1'-yl)carbazole;9-phenyl-3-(3'-pyridin-2-yl-9,9'-spirobi[xanthene]-3-yl)carbazole |
|---|---|
| PubChem CID | 157373867 |
| Molecular Formula | C288H180N12O12 |
| Molecular Weight | 4000.68 g/mol |
| Exact Mass | 3997.38 |
| IUPAC Name | 9-phenyl-2-(3-pyridin-2-yl-9,9'-spirobi[xanthene]-1'-yl)carbazole;9-phenyl-2-(3-pyridin-2-yl-9,9'-spirobi[xanthene]-2'-yl)carbazole;9-phenyl-2-(3'-pyridin-2-yl-9,9'-spirobi[xanthene]-3-yl)carbazole;9-phenyl-2-(3-pyridin-2-yl-9,9'-spirobi[xanthene]-4'-yl)carbazole;9-phenyl-3-(3-pyridin-2-yl-9,9'-spirobi[xanthene]-1'-yl)carbazole;9-phenyl-3-(3'-pyridin-2-yl-9,9'-spirobi[xanthene]-3-yl)carbazole |
| SMILES | c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)Oc4ccccc4C54c5ccccc5Oc5cc(-c6ccccn6)ccc54)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cccc5c4C4(c6ccccc6Oc6cc(-c7ccccn7)ccc64)c4ccccc4O5)ccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)C4(c6ccccc6Oc6cc(-c7ccccn7)ccc64)c4ccccc4O5)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)Oc4ccccc4C54c5ccccc5Oc5cc(-c6ccccn6)ccc54)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4cccc5c4C4(c6ccccc6Oc6cc(-c7ccccn7)ccc64)c4ccccc4O5)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4cccc5c4Oc4ccccc4C54c5ccccc5Oc5cc(-c6ccccn6)ccc54)cc32)cc1 |
| InChI | InChI=1S/6C48H30N2O2/c1-2-13-33(14-3-1)50-42-21-7-4-15-35(42)36-26-24-31(29-43(36)50)34-16-12-19-40-47(34)52-45-23-9-6-18-38(45)48(40)37-17-5-8-22-44(37)51-46-30-32(25-27-39(46)48)41-20-10-11-28-49-41;1-2-13-33(14-3-1)50-41-20-7-4-15-35(41)36-29-31(25-27-42(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(24-26-39(46)48)40-19-10-11-28-49-40;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)36-28-31(23-26-43(36)50)32-21-24-39-46(29-32)51-44-19-8-5-15-37(44)48(39)38-16-6-9-20-45(38)52-47-30-33(22-25-40(47)48)41-17-10-11-27-49-41;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;1-2-12-34(13-3-1)50-42-18-7-4-14-35(42)36-24-21-31(28-43(36)50)32-22-25-39-46(29-32)51-44-19-8-5-15-37(44)48(39)38-16-6-9-20-45(38)52-47-30-33(23-26-40(47)48)41-17-10-11-27-49-41/h6*1-30H |
| InChIKey | BKBYMAOYMDVZML-UHFFFAOYSA-N |
| XLogP | 72.64 |
| TPSA | 217.68 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 312 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4000.68 |
| LogP ≤ 5 | 72.64 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 24 |