C221H161F3N6 — CID 159931610
9,9-diphenyl-10-(2,7,7'-tritert-butyl-9,9'-spirobi[fluorene]-2'-yl)acridine;9,9-diphenyl-10-(2',7,7'-trifluoro-9,9'-spirobi[fluorene]-2-yl)acridine;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline;5-phenyl-10-(2,7,7'-triphenyl-9,9'-spirobi[fluorene]-2'-yl)phenazine (PubChem CID 159931610) has the molecular formula C221H161F3N6 and a molecular weight of 2957.75 g/mol. Its IUPAC name is 9,9-diphenyl-10-(2,7,7'-tritert-butyl-9,9'-spirobi[fluorene]-2'-yl)acridine;9,9-diphenyl-10-(2',7,7'-trifluoro-9,9'-spirobi[fluorene]-2-yl)acridine;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline;5-phenyl-10-(2,7,7'-triphenyl-9,9'-spirobi[fluorene]-2'-yl)phenazine.
| Compound Name | 9,9-diphenyl-10-(2,7,7'-tritert-butyl-9,9'-spirobi[fluorene]-2'-yl)acridine;9,9-diphenyl-10-(2',7,7'-trifluoro-9,9'-spirobi[fluorene]-2-yl)acridine;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline;5-phenyl-10-(2,7,7'-triphenyl-9,9'-spirobi[fluorene]-2'-yl)phenazine |
|---|---|
| PubChem CID | 159931610 |
| Molecular Formula | C221H161F3N6 |
| Molecular Weight | 2957.75 g/mol |
| Exact Mass | 2955.27 |
| IUPAC Name | 9,9-diphenyl-10-(2,7,7'-tritert-butyl-9,9'-spirobi[fluorene]-2'-yl)acridine;9,9-diphenyl-10-(2',7,7'-trifluoro-9,9'-spirobi[fluorene]-2-yl)acridine;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline;5-phenyl-10-(2,7,7'-triphenyl-9,9'-spirobi[fluorene]-2'-yl)phenazine |
| SMILES | CC(C)(C)c1ccc2c(c1)C1(c3cc(N4c5ccccc5C(c5ccccc5)(c5ccccc5)c5ccccc54)ccc3-2)c2cc(C(C)(C)C)ccc2-c2ccc(C(C)(C)C)cc21.Fc1ccc2c(c1)C1(c3cc(F)ccc3-2)c2cc(F)ccc2-c2ccc(N3c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc43)cc21.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc2)cc1.c1ccc(-c2ccc3c(c2)C2(c4cc(-c5ccccc5)ccc4-3)c3cc(-c4ccccc4)ccc3-c3ccc(N4c5ccccc5N(c5ccccc5)c5ccccc54)cc32)cc1 |
| InChI | InChI=1S/C62H57N.C61H40N2.C50H30F3N.C48H34N2/c1-58(2,3)42-28-32-46-47-33-29-43(59(4,5)6)37-53(47)62(52(46)36-42)54-38-44(60(7,8)9)30-34-48(54)49-35-31-45(39-55(49)62)63-56-26-18-16-24-50(56)61(40-20-12-10-13-21-40,41-22-14-11-15-23-41)51-25-17-19-27-57(51)63;1-5-17-41(18-6-1)44-29-33-49-50-34-30-45(42-19-7-2-8-20-42)38-54(50)61(53(49)37-44)55-39-46(43-21-9-3-10-22-43)31-35-51(55)52-36-32-48(40-56(52)61)63-59-27-15-13-25-57(59)62(47-23-11-4-12-24-47)58-26-14-16-28-60(58)63;51-33-19-23-37-38-24-20-34(52)28-44(38)50(43(37)27-33)45-29-35(53)21-25-39(45)40-26-22-36(30-46(40)50)54-47-17-9-7-15-41(47)49(31-11-3-1-4-12-31,32-13-5-2-6-14-32)42-16-8-10-18-48(42)54;1-4-12-35(13-5-1)37-20-27-42(28-21-37)49(43-29-22-38(23-30-43)36-14-6-2-7-15-36)44-31-24-39(25-32-44)40-26-33-48-46(34-40)45-18-10-11-19-47(45)50(48)41-16-8-3-9-17-41/h10-39H,1-9H3;1-40H;1-30H;1-34H |
| InChIKey | NZSCONAKOYSACX-UHFFFAOYSA-N |
| XLogP | 58.24 |
| TPSA | 21.13 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 230 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2957.75 |
| LogP ≤ 5 | 58.24 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |