C257H164N10O9S — CID 160719234
4-[3-[3-[2,8-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[3-[2,8-bis(3-phenylphenyl)dibenzofuran-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[3-[2,8-bis(4-phenylphenyl)dibenzofuran-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzothiophen-4-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 160719234) has the molecular formula C257H164N10O9S and a molecular weight of 3568.27 g/mol. Its IUPAC name is 4-[3-[3-[2,8-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[3-[2,8-bis(3-phenylphenyl)dibenzofuran-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[3-[2,8-bis(4-phenylphenyl)dibenzofuran-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzothiophen-4-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine.
| Compound Name | 4-[3-[3-[2,8-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[3-[2,8-bis(3-phenylphenyl)dibenzofuran-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[3-[2,8-bis(4-phenylphenyl)dibenzofuran-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzothiophen-4-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine |
|---|---|
| PubChem CID | 160719234 |
| Molecular Formula | C257H164N10O9S |
| Molecular Weight | 3568.27 g/mol |
| Exact Mass | 3565.24 |
| IUPAC Name | 4-[3-[3-[2,8-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[3-[2,8-bis(3-phenylphenyl)dibenzofuran-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[3-[2,8-bis(4-phenylphenyl)dibenzofuran-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzothiophen-4-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine |
| SMILES | CC1(C)c2ccccc2-c2ccc(-c3ccc4oc5c(-c6cccc(-c7cccc(-c8ncnc9c8oc8ccccc89)c7)c6)cc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc5c4c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cccc4c3sc3c(-c5cccc(-c6ncnc7c6oc6ccccc67)c5)cccc34)cc21.c1cc(-c2cccc(-c3ncnc4c3oc3ccccc34)c2)cc(-c2cccc3c2oc2ccccc23)c1.c1ccc(-c2ccc(-c3ccc4oc5c(-c6cccc(-c7cccc(-c8ncnc9c8oc8ccccc89)c7)c6)cc(-c6ccc(-c7ccccc7)cc6)cc5c4c3)cc2)cc1.c1ccc(-c2cccc(-c3ccc4oc5c(-c6cccc(-c7cccc(-c8ncnc9c8oc8ccccc89)c7)c6)cc(-c6cccc(-c7ccccc7)c6)cc5c4c3)c2)cc1 |
| InChI | InChI=1S/C64H44N2O2.2C58H36N2O2.C43H28N2OS.C34H20N2O2/c1-63(2)53-20-8-5-17-45(53)47-26-23-40(34-55(47)63)39-25-28-58-51(31-39)52-33-44(41-24-27-48-46-18-6-9-21-54(46)64(3,4)56(48)35-41)32-50(61(52)67-58)42-15-11-13-37(29-42)38-14-12-16-43(30-38)59-62-60(66-36-65-59)49-19-7-10-22-57(49)68-62;1-3-13-37(14-4-1)39-17-9-19-41(29-39)45-27-28-54-51(33-45)52-35-48(44-22-10-18-40(30-44)38-15-5-2-6-16-38)34-50(57(52)61-54)46-23-11-20-42(31-46)43-21-12-24-47(32-43)55-58-56(60-36-59-55)49-25-7-8-26-53(49)62-58;1-3-11-37(12-4-1)39-21-25-41(26-22-39)45-29-30-54-51(33-45)52-35-48(42-27-23-40(24-28-42)38-13-5-2-6-14-38)34-50(57(52)61-54)46-17-9-15-43(31-46)44-16-10-18-47(32-44)55-58-56(60-36-59-55)49-19-7-8-20-53(49)62-58;1-43(2)35-18-5-3-12-30(35)31-21-20-26(23-36(31)43)29-15-9-17-33-32-16-8-14-28(41(32)47-42(29)33)25-10-7-11-27(22-25)38-40-39(45-24-44-38)34-13-4-6-19-37(34)46-40;1-3-16-29-26(12-1)27-15-7-14-25(33(27)37-29)23-10-5-8-21(18-23)22-9-6-11-24(19-22)31-34-32(36-20-35-31)28-13-2-4-17-30(28)38-34/h5-36H,1-4H3;2*1-36H;3-24H,1-2H3;1-20H |
| InChIKey | RSWNCITYBNMHMR-UHFFFAOYSA-N |
| XLogP | 70.44 |
| TPSA | 247.16 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 277 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3568.27 |
| LogP ≤ 5 | 70.44 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 20 |