C203H129N3O6 — CID 161172662
N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-N-naphthalen-1-yl-9,9-diphenylfluoren-2-amine;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-N-naphthalen-1-yl-9,9'-spirobi[fluorene]-2-amine (PubChem CID 161172662) has the molecular formula C203H129N3O6 and a molecular weight of 2706.28 g/mol. Its IUPAC name is N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-N-naphthalen-1-yl-9,9-diphenylfluoren-2-amine;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-N-naphthalen-1-yl-9,9'-spirobi[fluorene]-2-amine.
| Compound Name | N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-N-naphthalen-1-yl-9,9-diphenylfluoren-2-amine;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-N-naphthalen-1-yl-9,9'-spirobi[fluorene]-2-amine |
|---|---|
| PubChem CID | 161172662 |
| Molecular Formula | C203H129N3O6 |
| Molecular Weight | 2706.28 g/mol |
| Exact Mass | 2703.99 |
| IUPAC Name | N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-N-naphthalen-1-yl-9,9-diphenylfluoren-2-amine;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-N-naphthalen-1-yl-9,9'-spirobi[fluorene]-2-amine |
| SMILES | CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cc(-c5ccc6oc7ccccc7c6c5)cc(-c5ccc6oc7ccccc7c6c5)c4)cc3)c3cccc4ccccc34)cc21.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5cc(-c6ccc7oc8ccccc8c7c6)cc(-c6ccc7oc8ccccc8c7c6)c5)cc4)c4cccc5ccccc45)cc32)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(N(c3ccc(-c4cc(-c5ccc6oc7ccccc7c6c5)cc(-c5ccc6oc7ccccc7c6c5)c4)cc3)c3cccc4ccccc34)cc21 |
| InChI | InChI=1S/C71H43NO2.C71H45NO2.C61H41NO2/c1-2-16-53-45(14-1)15-13-25-66(53)72(52-34-35-57-56-19-5-10-24-64(56)71(65(57)43-52)62-22-8-3-17-54(62)55-18-4-9-23-63(55)71)51-32-28-44(29-33-51)48-38-49(46-30-36-69-60(41-46)58-20-6-11-26-67(58)73-69)40-50(39-48)47-31-37-70-61(42-47)59-21-7-12-27-68(59)74-70;1-3-18-53(19-4-1)71(54-20-5-2-6-21-54)64-26-12-9-23-58(64)59-37-36-56(45-65(59)71)72(66-27-15-17-47-16-7-8-22-57(47)66)55-34-30-46(31-35-55)50-40-51(48-32-38-69-62(43-48)60-24-10-13-28-67(60)73-69)42-52(41-50)49-33-39-70-63(44-49)61-25-11-14-29-68(61)74-70;1-61(2)54-18-8-5-15-48(54)49-29-28-46(37-55(49)61)62(56-19-11-13-39-12-3-4-14-47(39)56)45-26-22-38(23-27-45)42-32-43(40-24-30-59-52(35-40)50-16-6-9-20-57(50)63-59)34-44(33-42)41-25-31-60-53(36-41)51-17-7-10-21-58(51)64-60/h1-43H;1-45H;3-37H,1-2H3 |
| InChIKey | URJWPARGOKUPMV-UHFFFAOYSA-N |
| XLogP | 56.34 |
| TPSA | 88.56 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 9 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 212 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2706.28 |
| LogP ≤ 5 | 56.34 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |