C232H164N4 — CID 159146221
N-(9,9-dimethylfluoren-2-yl)-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[3-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[3-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine (PubChem CID 159146221) has the molecular formula C232H164N4 and a molecular weight of 3007.89 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[3-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[3-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine.
| Compound Name | N-(9,9-dimethylfluoren-2-yl)-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[3-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[3-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine |
|---|---|
| PubChem CID | 159146221 |
| Molecular Formula | C232H164N4 |
| Molecular Weight | 3007.89 g/mol |
| Exact Mass | 3005.30 |
| IUPAC Name | N-(9,9-dimethylfluoren-2-yl)-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[3-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[3-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine |
| SMILES | CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccccc3-c3ccc(-c4ccccc4)cc3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccccc3-c3cccc(-c4ccccc4)c3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4cccc(-c5ccccc5)c4)c3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc21.CC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4ccccc4-c4ccccc4)c3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc21 |
| InChI | InChI=1S/4C58H41N/c1-57(2)50-26-11-6-22-44(50)48-33-31-41(36-54(48)57)59(56-30-15-10-21-43(56)40-20-16-19-39(35-40)38-17-4-3-5-18-38)42-32-34-49-47-25-9-14-29-53(47)58(55(49)37-42)51-27-12-7-23-45(51)46-24-8-13-28-52(46)58;1-57(2)50-23-11-6-19-44(50)48-34-32-41(36-54(48)57)59(56-27-15-10-18-43(56)40-30-28-39(29-31-40)38-16-4-3-5-17-38)42-33-35-49-47-22-9-14-26-53(47)58(55(49)37-42)51-24-12-7-20-45(51)46-21-8-13-25-52(46)58;1-57(2)51-26-10-6-22-45(51)49-32-30-43(36-55(49)57)59(42-21-15-20-41(35-42)40-19-14-18-39(34-40)38-16-4-3-5-17-38)44-31-33-50-48-25-9-13-29-54(48)58(56(50)37-44)52-27-11-7-23-46(52)47-24-8-12-28-53(47)58;1-57(2)51-27-12-8-23-45(51)49-33-31-41(36-55(49)57)59(40-20-16-19-39(35-40)44-22-7-6-21-43(44)38-17-4-3-5-18-38)42-32-34-50-48-26-11-15-30-54(48)58(56(50)37-42)52-28-13-9-24-46(52)47-25-10-14-29-53(47)58/h4*3-37H,1-2H3 |
| InChIKey | KISFGJGRUXWSKG-UHFFFAOYSA-N |
| XLogP | 60.56 |
| TPSA | 12.96 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 236 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3007.89 |
| LogP ≤ 5 | 60.56 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |