C304H208N8O4 — CID 161131230
2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine;2,2',7,7'-tetrakis(2,2-diphenylethenyl)-9,9'-spirobi[fluorene];2,2',7,7'-tetrakis[4-(4-methoxyphenyl)phenyl]-9,9'-spirobi[fluorene];9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole (PubChem CID 161131230) has the molecular formula C304H208N8O4 and a molecular weight of 4037.06 g/mol. Its IUPAC name is 2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine;2,2',7,7'-tetrakis(2,2-diphenylethenyl)-9,9'-spirobi[fluorene];2,2',7,7'-tetrakis[4-(4-methoxyphenyl)phenyl]-9,9'-spirobi[fluorene];9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole.
| Compound Name | 2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine;2,2',7,7'-tetrakis(2,2-diphenylethenyl)-9,9'-spirobi[fluorene];2,2',7,7'-tetrakis[4-(4-methoxyphenyl)phenyl]-9,9'-spirobi[fluorene];9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole |
|---|---|
| PubChem CID | 161131230 |
| Molecular Formula | C304H208N8O4 |
| Molecular Weight | 4037.06 g/mol |
| Exact Mass | 4033.63 |
| IUPAC Name | 2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine;2,2',7,7'-tetrakis(2,2-diphenylethenyl)-9,9'-spirobi[fluorene];2,2',7,7'-tetrakis[4-(4-methoxyphenyl)phenyl]-9,9'-spirobi[fluorene];9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole |
| SMILES | C(=C(c1ccccc1)c1ccccc1)c1ccc2c(c1)C1(c3cc(C=C(c4ccccc4)c4ccccc4)ccc3-2)c2cc(C=C(c3ccccc3)c3ccccc3)ccc2-c2ccc(C=C(c3ccccc3)c3ccccc3)cc21.COc1ccc(-c2ccc(-c3ccc4c(c3)C3(c5cc(-c6ccc(-c7ccc(OC)cc7)cc6)ccc5-4)c4cc(-c5ccc(-c6ccc(OC)cc6)cc5)ccc4-c4ccc(-c5ccc(-c6ccc(OC)cc6)cc5)cc43)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4cc(N(c5ccccc5)c5ccccc5)ccc4-3)c3cc(N(c4ccccc4)c4ccccc4)ccc3-c3ccc(N(c4ccccc4)c4ccccc4)cc32)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)C1(c3cc(-n4c5ccccc5c5ccccc54)ccc3-2)c2cc(-n3c4ccccc4c4ccccc43)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21 |
| InChI | InChI=1S/C81H56.C77H56O4.C73H44N4.C73H52N4/c1-9-25-61(26-10-1)73(62-27-11-2-12-28-62)49-57-41-45-69-70-46-42-58(50-74(63-29-13-3-14-30-63)64-31-15-4-16-32-64)54-78(70)81(77(69)53-57)79-55-59(51-75(65-33-17-5-18-34-65)66-35-19-6-20-36-66)43-47-71(79)72-48-44-60(56-80(72)81)52-76(67-37-21-7-22-38-67)68-39-23-8-24-40-68;1-78-65-33-21-53(22-34-65)49-5-13-57(14-6-49)61-29-41-69-70-42-30-62(58-15-7-50(8-16-58)54-23-35-66(79-2)36-24-54)46-74(70)77(73(69)45-61)75-47-63(59-17-9-51(10-18-59)55-25-37-67(80-3)38-26-55)31-43-71(75)72-44-32-64(48-76(72)77)60-19-11-52(12-20-60)56-27-39-68(81-4)40-28-56;1-9-25-65-53(17-1)54-18-2-10-26-66(54)74(65)45-33-37-49-50-38-34-46(75-67-27-11-3-19-55(67)56-20-4-12-28-68(56)75)42-62(50)73(61(49)41-45)63-43-47(76-69-29-13-5-21-57(69)58-22-6-14-30-70(58)76)35-39-51(63)52-40-36-48(44-64(52)73)77-71-31-15-7-23-59(71)60-24-8-16-32-72(60)77;1-9-25-53(26-10-1)74(54-27-11-2-12-28-54)61-41-45-65-66-46-42-62(75(55-29-13-3-14-30-55)56-31-15-4-16-32-56)50-70(66)73(69(65)49-61)71-51-63(76(57-33-17-5-18-34-57)58-35-19-6-20-36-58)43-47-67(71)68-48-44-64(52-72(68)73)77(59-37-21-7-22-38-59)60-39-23-8-24-40-60/h1-56H;5-48H,1-4H3;1-44H;1-52H |
| InChIKey | UMFGBOVXEDLBOT-UHFFFAOYSA-N |
| XLogP | 78.11 |
| TPSA | 69.60 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 40 |
| Heavy Atoms | 316 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4037.06 |
| LogP ≤ 5 | 78.11 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |