C243H152N4O12 — CID 158947437
N,N-bis(4-dibenzofuran-2-ylphenyl)-4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]aniline;4-dibenzofuran-2-yl-N,N-bis(4-dibenzofuran-2-ylphenyl)aniline;7-dibenzofuran-2-yl-N,N-bis(4-dibenzofuran-2-ylphenyl)-9,9-dimethylfluoren-2-amine;N,N,4-tris(4-dibenzofuran-2-ylphenyl)aniline (PubChem CID 158947437) has the molecular formula C243H152N4O12 and a molecular weight of 3319.90 g/mol. Its IUPAC name is N,N-bis(4-dibenzofuran-2-ylphenyl)-4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]aniline;4-dibenzofuran-2-yl-N,N-bis(4-dibenzofuran-2-ylphenyl)aniline;7-dibenzofuran-2-yl-N,N-bis(4-dibenzofuran-2-ylphenyl)-9,9-dimethylfluoren-2-amine;N,N,4-tris(4-dibenzofuran-2-ylphenyl)aniline.
| Compound Name | N,N-bis(4-dibenzofuran-2-ylphenyl)-4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]aniline;4-dibenzofuran-2-yl-N,N-bis(4-dibenzofuran-2-ylphenyl)aniline;7-dibenzofuran-2-yl-N,N-bis(4-dibenzofuran-2-ylphenyl)-9,9-dimethylfluoren-2-amine;N,N,4-tris(4-dibenzofuran-2-ylphenyl)aniline |
|---|---|
| PubChem CID | 158947437 |
| Molecular Formula | C243H152N4O12 |
| Molecular Weight | 3319.90 g/mol |
| Exact Mass | 3317.14 |
| IUPAC Name | N,N-bis(4-dibenzofuran-2-ylphenyl)-4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]aniline;4-dibenzofuran-2-yl-N,N-bis(4-dibenzofuran-2-ylphenyl)aniline;7-dibenzofuran-2-yl-N,N-bis(4-dibenzofuran-2-ylphenyl)-9,9-dimethylfluoren-2-amine;N,N,4-tris(4-dibenzofuran-2-ylphenyl)aniline |
| SMILES | CC1(C)c2cc(-c3ccc4oc5ccccc5c4c3)ccc2-c2ccc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)cc21.c1ccc2c(c1)oc1ccc(-c3ccc(-c4ccc(-c5ccc(N(c6ccc(-c7ccc8oc9ccccc9c8c7)cc6)c6ccc(-c7ccc8oc9ccccc9c8c7)cc6)cc5)cc4)cc3)cc12.c1ccc2c(c1)oc1ccc(-c3ccc(-c4ccc(N(c5ccc(-c6ccc7oc8ccccc8c7c6)cc5)c5ccc(-c6ccc7oc8ccccc8c7c6)cc5)cc4)cc3)cc12.c1ccc2c(c1)oc1ccc(-c3ccc(N(c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)cc3)cc12 |
| InChI | InChI=1S/C66H41NO3.C63H41NO3.C60H37NO3.C54H33NO3/c1-4-10-61-55(7-1)58-39-49(27-36-64(58)68-61)46-19-17-43(18-20-46)42-13-15-44(16-14-42)45-21-30-52(31-22-45)67(53-32-23-47(24-33-53)50-28-37-65-59(40-50)56-8-2-5-11-62(56)69-65)54-34-25-48(26-35-54)51-29-38-66-60(41-51)57-9-3-6-12-63(57)70-66;1-63(2)55-36-43(42-22-32-62-54(35-42)51-11-5-8-14-59(51)67-62)19-28-47(55)48-29-27-46(37-56(48)63)64(44-23-15-38(16-24-44)40-20-30-60-52(33-40)49-9-3-6-12-57(49)65-60)45-25-17-39(18-26-45)41-21-31-61-53(34-41)50-10-4-7-13-58(50)66-61;1-4-10-55-49(7-1)52-35-43(23-32-58(52)62-55)40-15-13-38(14-16-40)39-17-26-46(27-18-39)61(47-28-19-41(20-29-47)44-24-33-59-53(36-44)50-8-2-5-11-56(50)63-59)48-30-21-42(22-31-48)45-25-34-60-54(37-45)51-9-3-6-12-57(51)64-60;1-4-10-49-43(7-1)46-31-37(19-28-52(46)56-49)34-13-22-40(23-14-34)55(41-24-15-35(16-25-41)38-20-29-53-47(32-38)44-8-2-5-11-50(44)57-53)42-26-17-36(18-27-42)39-21-30-54-48(33-39)45-9-3-6-12-51(45)58-54/h1-41H;3-37H,1-2H3;1-37H;1-33H |
| InChIKey | JKZPFASZTRDWIG-UHFFFAOYSA-N |
| XLogP | 70.73 |
| TPSA | 170.64 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 259 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3319.90 |
| LogP ≤ 5 | 70.73 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |