C335H228O11 — CID 162234529
4-tert-butyl-6-(9H-fluoren-3-yl)dibenzofuran;4-ethyl-6-(9H-fluoren-3-yl)dibenzofuran;4-(9H-fluoren-3-yl)dibenzofuran;4-(9H-fluoren-3-yl)-6-methyldibenzofuran;4-(9H-fluoren-3-yl)-6-phenyldibenzofuran;methane;4-phenyl-6-[7-(6-phenyldibenzofuran-4-yl)-9H-fluoren-2-yl]dibenzofuran;2,4,8-triphenyl-6-[6-(2,6,8-triphenyldibenzofuran-4-yl)-9H-fluoren-3-yl]dibenzofuran;2,4,8-triphenyl-6-[7-(2,6,8-triphenyldibenzofuran-4-yl)-9H-fluoren-2-yl]dibenzofuran (PubChem CID 162234529) has the molecular formula C335H228O11 and a molecular weight of 4429.50 g/mol. Its IUPAC name is 4-tert-butyl-6-(9H-fluoren-3-yl)dibenzofuran;4-ethyl-6-(9H-fluoren-3-yl)dibenzofuran;4-(9H-fluoren-3-yl)dibenzofuran;4-(9H-fluoren-3-yl)-6-methyldibenzofuran;4-(9H-fluoren-3-yl)-6-phenyldibenzofuran;methane;4-phenyl-6-[7-(6-phenyldibenzofuran-4-yl)-9H-fluoren-2-yl]dibenzofuran;2,4,8-triphenyl-6-[6-(2,6,8-triphenyldibenzofuran-4-yl)-9H-fluoren-3-yl]dibenzofuran;2,4,8-triphenyl-6-[7-(2,6,8-triphenyldibenzofuran-4-yl)-9H-fluoren-2-yl]dibenzofuran.
| Compound Name | 4-tert-butyl-6-(9H-fluoren-3-yl)dibenzofuran;4-ethyl-6-(9H-fluoren-3-yl)dibenzofuran;4-(9H-fluoren-3-yl)dibenzofuran;4-(9H-fluoren-3-yl)-6-methyldibenzofuran;4-(9H-fluoren-3-yl)-6-phenyldibenzofuran;methane;4-phenyl-6-[7-(6-phenyldibenzofuran-4-yl)-9H-fluoren-2-yl]dibenzofuran;2,4,8-triphenyl-6-[6-(2,6,8-triphenyldibenzofuran-4-yl)-9H-fluoren-3-yl]dibenzofuran;2,4,8-triphenyl-6-[7-(2,6,8-triphenyldibenzofuran-4-yl)-9H-fluoren-2-yl]dibenzofuran |
|---|---|
| PubChem CID | 162234529 |
| Molecular Formula | C335H228O11 |
| Molecular Weight | 4429.50 g/mol |
| Exact Mass | 4425.73 |
| IUPAC Name | 4-tert-butyl-6-(9H-fluoren-3-yl)dibenzofuran;4-ethyl-6-(9H-fluoren-3-yl)dibenzofuran;4-(9H-fluoren-3-yl)dibenzofuran;4-(9H-fluoren-3-yl)-6-methyldibenzofuran;4-(9H-fluoren-3-yl)-6-phenyldibenzofuran;methane;4-phenyl-6-[7-(6-phenyldibenzofuran-4-yl)-9H-fluoren-2-yl]dibenzofuran;2,4,8-triphenyl-6-[6-(2,6,8-triphenyldibenzofuran-4-yl)-9H-fluoren-3-yl]dibenzofuran;2,4,8-triphenyl-6-[7-(2,6,8-triphenyldibenzofuran-4-yl)-9H-fluoren-2-yl]dibenzofuran |
| SMILES | C.C.CC(C)(C)c1cccc2c1oc1c(-c3ccc4c(c3)-c3ccccc3C4)cccc12.CCc1cccc2c1oc1c(-c3ccc4c(c3)-c3ccccc3C4)cccc12.Cc1cccc2c1oc1c(-c3ccc4c(c3)-c3ccccc3C4)cccc12.c1ccc(-c2cc(-c3ccccc3)c3oc4c(-c5ccc6c(c5)-c5cc(-c7cc(-c8ccccc8)cc8c7oc7c(-c9ccccc9)cc(-c9ccccc9)cc78)ccc5C6)cc(-c5ccccc5)cc4c3c2)cc1.c1ccc(-c2cc(-c3ccccc3)c3oc4c(-c5ccc6c(c5)Cc5cc(-c7cc(-c8ccccc8)cc8c7oc7c(-c9ccccc9)cc(-c9ccccc9)cc78)ccc5-6)cc(-c5ccccc5)cc4c3c2)cc1.c1ccc(-c2cccc3c2oc2c(-c4ccc5c(c4)-c4ccccc4C5)cccc23)cc1.c1ccc(-c2cccc3c2oc2c(-c4ccc5c(c4)Cc4cc(-c6cccc7c6oc6c(-c8ccccc8)cccc67)ccc4-5)cccc23)cc1.c1ccc2c(c1)Cc1ccc(-c3cccc4c3oc3ccccc34)cc1-2 |
| InChI | InChI=1S/2C73H46O2.C49H30O2.C31H20O.C29H24O.C27H20O.C26H18O.C25H16O.2CH4/c1-7-19-46(20-8-1)54-38-62(50-27-15-5-16-28-50)70-66(42-54)68-44-56(48-23-11-3-12-24-48)40-64(72(68)74-70)52-31-33-60-58(35-52)37-59-36-53(32-34-61(59)60)65-41-57(49-25-13-4-14-26-49)45-69-67-43-55(47-21-9-2-10-22-47)39-63(71(67)75-73(65)69)51-29-17-6-18-30-51;1-7-19-46(20-8-1)56-38-62(50-27-15-5-16-28-50)70-66(42-56)68-44-58(48-23-11-3-12-24-48)40-64(72(68)74-70)54-33-31-52-35-53-32-34-55(37-61(53)60(52)36-54)65-41-59(49-25-13-4-14-26-49)45-69-67-43-57(47-21-9-2-10-22-47)39-63(71(67)75-73(65)69)51-29-17-6-18-30-51;1-3-11-30(12-4-1)38-15-7-19-42-44-21-9-17-40(48(44)50-46(38)42)32-23-25-36-34(27-32)29-35-28-33(24-26-37(35)36)41-18-10-22-45-43-20-8-16-39(47(43)51-49(41)45)31-13-5-2-6-14-31;1-2-8-20(9-3-1)25-12-6-14-27-28-15-7-13-26(31(28)32-30(25)27)23-17-16-22-18-21-10-4-5-11-24(21)29(22)19-23;1-29(2,3)26-13-7-12-24-23-11-6-10-22(27(23)30-28(24)26)20-15-14-19-16-18-8-4-5-9-21(18)25(19)17-20;1-2-17-8-5-11-23-24-12-6-10-22(27(24)28-26(17)23)20-14-13-19-15-18-7-3-4-9-21(18)25(19)16-20;1-16-6-4-10-22-23-11-5-9-21(26(23)27-25(16)22)19-13-12-18-14-17-7-2-3-8-20(17)24(18)15-19;1-2-7-19-16(6-1)14-17-12-13-18(15-23(17)19)20-9-5-10-22-21-8-3-4-11-24(21)26-25(20)22;;/h1-36,38-45H,37H2;1-34,36-45H,35H2;1-28H,29H2;1-17,19H,18H2;4-15,17H,16H2,1-3H3;3-14,16H,2,15H2,1H3;2-13,15H,14H2,1H3;1-13,15H,14H2;2*1H4 |
| InChIKey | ZVWPMSOKSPHXBW-UHFFFAOYSA-N |
| XLogP | 93.74 |
| TPSA | 144.54 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 11 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 346 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4429.50 |
| LogP ≤ 5 | 93.74 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 11 |