C304H251N5 — CID 158067288
N-[4-(1-adamantyl)phenyl]-N-(9,9-dimethylfluoren-3-yl)-9,9'-spirobi[fluorene]-2-amine;N-[2-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine;N-[3-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine;N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-1-yl)-9,9'-spirobi[fluorene]-2-amine;N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine (PubChem CID 158067288) has the molecular formula C304H251N5 and a molecular weight of 3974.39 g/mol. Its IUPAC name is N-[4-(1-adamantyl)phenyl]-N-(9,9-dimethylfluoren-3-yl)-9,9'-spirobi[fluorene]-2-amine;N-[2-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine;N-[3-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine;N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-1-yl)-9,9'-spirobi[fluorene]-2-amine;N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine.
| Compound Name | N-[4-(1-adamantyl)phenyl]-N-(9,9-dimethylfluoren-3-yl)-9,9'-spirobi[fluorene]-2-amine;N-[2-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine;N-[3-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine;N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-1-yl)-9,9'-spirobi[fluorene]-2-amine;N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine |
|---|---|
| PubChem CID | 158067288 |
| Molecular Formula | C304H251N5 |
| Molecular Weight | 3974.39 g/mol |
| Exact Mass | 3970.98 |
| IUPAC Name | N-[4-(1-adamantyl)phenyl]-N-(9,9-dimethylfluoren-3-yl)-9,9'-spirobi[fluorene]-2-amine;N-[2-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine;N-[3-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine;N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-1-yl)-9,9'-spirobi[fluorene]-2-amine;N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine |
| SMILES | CC1(C)c2ccccc2-c2cc(N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)ccc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccccc3-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)c3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc21.CC1(C)c2ccccc2-c2cccc(N(c3ccc(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c21 |
| InChI | InChI=1S/4C62H51N.C56H47N/c1-60(2)53-18-8-3-14-47(53)51-29-27-44(34-57(51)60)63(59-22-12-7-13-46(59)42-23-25-43(26-24-42)61-36-39-31-40(37-61)33-41(32-39)38-61)45-28-30-52-50-17-6-11-21-56(50)62(58(52)35-45)54-19-9-4-15-48(54)49-16-5-10-20-55(49)62;1-60(2)54-18-7-3-14-48(54)52-28-26-46(34-58(52)60)63(45-13-11-12-43(33-45)42-22-24-44(25-23-42)61-36-39-30-40(37-61)32-41(31-39)38-61)47-27-29-53-51-17-6-10-21-57(51)62(59(53)35-47)55-19-8-4-15-49(55)50-16-5-9-20-56(50)62;1-60(2)53-17-7-3-15-50(53)52-16-11-21-58(59(52)60)63(45-28-24-43(25-29-45)42-22-26-44(27-23-42)61-36-39-32-40(37-61)34-41(33-39)38-61)46-30-31-51-49-14-6-10-20-56(49)62(57(51)35-46)54-18-8-4-12-47(54)48-13-5-9-19-55(48)62;1-60(2)54-15-7-3-11-48(54)52-29-27-46(34-58(52)60)63(45-25-21-43(22-26-45)42-19-23-44(24-20-42)61-36-39-31-40(37-61)33-41(32-39)38-61)47-28-30-53-51-14-6-10-18-57(51)62(59(53)35-47)55-16-8-4-12-49(55)50-13-5-9-17-56(50)62;1-54(2)48-15-7-3-14-45(48)47-30-40(24-26-49(47)54)57(39-21-19-38(20-22-39)55-32-35-27-36(33-55)29-37(28-35)34-55)41-23-25-46-44-13-6-10-18-52(44)56(53(46)31-41)50-16-8-4-11-42(50)43-12-5-9-17-51(43)56/h3-30,34-35,39-41H,31-33,36-38H2,1-2H3;3-29,33-35,39-41H,30-32,36-38H2,1-2H3;3-31,35,39-41H,32-34,36-38H2,1-2H3;3-30,34-35,39-41H,31-33,36-38H2,1-2H3;3-26,30-31,35-37H,27-29,32-34H2,1-2H3 |
| InChIKey | FLJSAGKXTAWPEC-UHFFFAOYSA-N |
| XLogP | 78.04 |
| TPSA | 16.20 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 5 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 309 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3974.39 |
| LogP ≤ 5 | 78.04 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |