C280H172N20O4 — CID 158850829
1-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-5,7-diphenylindolo[2,3-b]carbazole;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-5,7-diphenylindolo[2,3-b]carbazole;3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]-5,7-diphenylindolo[2,3-b]carbazole;12-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]-5,7-diphenylindolo[2,3-b]carbazole (PubChem CID 158850829) has the molecular formula C280H172N20O4 and a molecular weight of 3880.59 g/mol. Its IUPAC name is 1-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-5,7-diphenylindolo[2,3-b]carbazole;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-5,7-diphenylindolo[2,3-b]carbazole;3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]-5,7-diphenylindolo[2,3-b]carbazole;12-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]-5,7-diphenylindolo[2,3-b]carbazole.
| Compound Name | 1-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-5,7-diphenylindolo[2,3-b]carbazole;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-5,7-diphenylindolo[2,3-b]carbazole;3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]-5,7-diphenylindolo[2,3-b]carbazole;12-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]-5,7-diphenylindolo[2,3-b]carbazole |
|---|---|
| PubChem CID | 158850829 |
| Molecular Formula | C280H172N20O4 |
| Molecular Weight | 3880.59 g/mol |
| Exact Mass | 3877.39 |
| IUPAC Name | 1-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-5,7-diphenylindolo[2,3-b]carbazole;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-5,7-diphenylindolo[2,3-b]carbazole;3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]-5,7-diphenylindolo[2,3-b]carbazole;12-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]-5,7-diphenylindolo[2,3-b]carbazole |
| SMILES | c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)-c3cc(-c5c6c7ccccc7n(-c7ccccc7)c6cc6c5c5ccccc5n6-c5ccccc5)ccc3C43c4ccccc4Oc4ccccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3cc(-c5cccc6c5c5cc7c8ccccc8n(-c8ccccc8)c7cc5n6-c5ccccc5)ccc3-4)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccc(-c5ccc6c7cc8c9ccccc9n(-c9ccccc9)c8cc7n(-c7ccccc7)c6c5)cc3-4)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3cccc(-c5ccc6c(c5)c5cc7c8ccccc8n(-c8ccccc8)c7cc5n6-c5ccccc5)c3-4)n2)cc1 |
| InChI | InChI=1S/4C70H43N5O/c1-5-21-44(22-6-1)67-71-68(45-23-7-2-8-24-45)73-69(72-67)47-38-40-55-53(42-47)52-41-46(37-39-54(52)70(55)56-31-15-19-35-62(56)76-63-36-20-16-32-57(63)70)64-65-50-29-13-17-33-58(50)74(48-25-9-3-10-26-48)60(65)43-61-66(64)51-30-14-18-34-59(51)75(61)49-27-11-4-12-28-49;1-5-20-44(21-6-1)67-71-68(45-22-7-2-8-23-45)73-69(72-67)47-36-38-52-59(41-47)70(56-30-14-17-34-64(56)76-65-35-18-15-31-57(65)70)58-32-19-29-50(66(52)58)46-37-39-61-53(40-46)55-42-54-51-28-13-16-33-60(51)74(48-24-9-3-10-25-48)62(54)43-63(55)75(61)49-26-11-4-12-27-49;1-5-20-44(21-6-1)67-71-68(45-22-7-2-8-23-45)73-69(72-67)47-37-39-52-51-38-36-46(40-58(51)70(59(52)41-47)56-30-14-17-34-64(56)76-65-35-18-15-31-57(65)70)50-29-19-33-61-66(50)55-42-54-53-28-13-16-32-60(53)74(48-24-9-3-10-25-48)62(54)43-63(55)75(61)49-26-11-4-12-27-49;1-5-19-44(20-6-1)67-71-68(45-21-7-2-8-22-45)73-69(72-67)48-34-36-51-54-39-46(35-38-57(54)70(60(51)40-48)58-28-14-17-31-65(58)76-66-32-18-15-29-59(66)70)47-33-37-53-56-42-55-52-27-13-16-30-61(52)74(49-23-9-3-10-24-49)63(55)43-64(56)75(62(53)41-47)50-25-11-4-12-26-50/h4*1-43H |
| InChIKey | IZKSXNMBUUOJIX-UHFFFAOYSA-N |
| XLogP | 68.81 |
| TPSA | 231.04 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 304 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3880.59 |
| LogP ≤ 5 | 68.81 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 24 |