C220H154F2N4 — CID 158671722
N-(9,9-dimethylfluoren-2-yl)-7'-fluoro-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine;N-(9,9-dimethylfluoren-2-yl)-7'-fluoro-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine;N-(9,9-dimethylfluoren-2-yl)-7'-phenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine;N-(9,9-dimethylfluoren-2-yl)-7'-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine (PubChem CID 158671722) has the molecular formula C220H154F2N4 and a molecular weight of 2891.68 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-7'-fluoro-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine;N-(9,9-dimethylfluoren-2-yl)-7'-fluoro-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine;N-(9,9-dimethylfluoren-2-yl)-7'-phenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine;N-(9,9-dimethylfluoren-2-yl)-7'-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine.
| Compound Name | N-(9,9-dimethylfluoren-2-yl)-7'-fluoro-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine;N-(9,9-dimethylfluoren-2-yl)-7'-fluoro-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine;N-(9,9-dimethylfluoren-2-yl)-7'-phenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine;N-(9,9-dimethylfluoren-2-yl)-7'-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine |
|---|---|
| PubChem CID | 158671722 |
| Molecular Formula | C220H154F2N4 |
| Molecular Weight | 2891.68 g/mol |
| Exact Mass | 2889.21 |
| IUPAC Name | N-(9,9-dimethylfluoren-2-yl)-7'-fluoro-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine;N-(9,9-dimethylfluoren-2-yl)-7'-fluoro-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine;N-(9,9-dimethylfluoren-2-yl)-7'-phenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine;N-(9,9-dimethylfluoren-2-yl)-7'-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine |
| SMILES | CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(-c5ccccc5)ccc3-4)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(F)ccc3-4)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(-c5ccccc5)ccc3-4)c3ccccc3-c3ccccc3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(F)ccc3-4)c3ccccc3-c3ccccc3)cc21 |
| InChI | InChI=1S/2C58H41N.2C52H36FN/c1-57(2)50-25-13-9-22-44(50)47-33-30-41(36-53(47)57)59(56-28-16-12-21-43(56)39-19-7-4-8-20-39)42-31-34-49-48-32-29-40(38-17-5-3-6-18-38)35-54(48)58(55(49)37-42)51-26-14-10-23-45(51)46-24-11-15-27-52(46)58;1-57(2)51-22-12-9-19-45(51)48-33-30-43(36-54(48)57)59(42-28-25-40(26-29-42)38-15-5-3-6-16-38)44-31-34-50-49-32-27-41(39-17-7-4-8-18-39)35-55(49)58(56(50)37-44)52-23-13-10-20-46(52)47-21-11-14-24-53(47)58;1-51(2)44-20-10-6-17-38(44)41-28-25-35(31-47(41)51)54(50-23-13-9-16-37(50)33-14-4-3-5-15-33)36-26-29-43-42-27-24-34(53)30-48(42)52(49(43)32-36)45-21-11-7-18-39(45)40-19-8-12-22-46(40)52;1-51(2)45-17-9-6-14-39(45)42-28-25-37(31-48(42)51)54(36-23-20-34(21-24-36)33-12-4-3-5-13-33)38-26-29-44-43-27-22-35(53)30-49(43)52(50(44)32-38)46-18-10-7-15-40(46)41-16-8-11-19-47(41)52/h2*3-37H,1-2H3;2*3-32H,1-2H3 |
| InChIKey | IEALVACHZYDITQ-UHFFFAOYSA-N |
| XLogP | 57.51 |
| TPSA | 12.96 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 226 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2891.68 |
| LogP ≤ 5 | 57.51 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |