C268H224O4S4 — CID 160765511
4-[6-[2,8-bis(2-methylpropyl)dibenzofuran-4-yl]-9H-fluoren-3-yl]-2,8-bis(2-methylpropyl)dibenzofuran;4-[6-[2,8-bis(2-phenylphenyl)dibenzothiophen-4-yl]-9H-fluoren-3-yl]-2,8-bis(2-phenylphenyl)dibenzothiophene;4-[6-[2,8-bis(5,6,7,8-tetrahydronaphthalen-2-yl)dibenzothiophen-4-yl]-9H-fluoren-3-yl]-2,8-bis(5,6,7,8-tetrahydronaphthalen-2-yl)dibenzothiophene;2,8-ditert-butyl-4-[6-(2,8-ditert-butyldibenzofuran-4-yl)-9H-fluoren-3-yl]dibenzofuran (PubChem CID 160765511) has the molecular formula C268H224O4S4 and a molecular weight of 3637.00 g/mol. Its IUPAC name is 4-[6-[2,8-bis(2-methylpropyl)dibenzofuran-4-yl]-9H-fluoren-3-yl]-2,8-bis(2-methylpropyl)dibenzofuran;4-[6-[2,8-bis(2-phenylphenyl)dibenzothiophen-4-yl]-9H-fluoren-3-yl]-2,8-bis(2-phenylphenyl)dibenzothiophene;4-[6-[2,8-bis(5,6,7,8-tetrahydronaphthalen-2-yl)dibenzothiophen-4-yl]-9H-fluoren-3-yl]-2,8-bis(5,6,7,8-tetrahydronaphthalen-2-yl)dibenzothiophene;2,8-ditert-butyl-4-[6-(2,8-ditert-butyldibenzofuran-4-yl)-9H-fluoren-3-yl]dibenzofuran.
| Compound Name | 4-[6-[2,8-bis(2-methylpropyl)dibenzofuran-4-yl]-9H-fluoren-3-yl]-2,8-bis(2-methylpropyl)dibenzofuran;4-[6-[2,8-bis(2-phenylphenyl)dibenzothiophen-4-yl]-9H-fluoren-3-yl]-2,8-bis(2-phenylphenyl)dibenzothiophene;4-[6-[2,8-bis(5,6,7,8-tetrahydronaphthalen-2-yl)dibenzothiophen-4-yl]-9H-fluoren-3-yl]-2,8-bis(5,6,7,8-tetrahydronaphthalen-2-yl)dibenzothiophene;2,8-ditert-butyl-4-[6-(2,8-ditert-butyldibenzofuran-4-yl)-9H-fluoren-3-yl]dibenzofuran |
|---|---|
| PubChem CID | 160765511 |
| Molecular Formula | C268H224O4S4 |
| Molecular Weight | 3637.00 g/mol |
| Exact Mass | 3633.62 |
| IUPAC Name | 4-[6-[2,8-bis(2-methylpropyl)dibenzofuran-4-yl]-9H-fluoren-3-yl]-2,8-bis(2-methylpropyl)dibenzofuran;4-[6-[2,8-bis(2-phenylphenyl)dibenzothiophen-4-yl]-9H-fluoren-3-yl]-2,8-bis(2-phenylphenyl)dibenzothiophene;4-[6-[2,8-bis(5,6,7,8-tetrahydronaphthalen-2-yl)dibenzothiophen-4-yl]-9H-fluoren-3-yl]-2,8-bis(5,6,7,8-tetrahydronaphthalen-2-yl)dibenzothiophene;2,8-ditert-butyl-4-[6-(2,8-ditert-butyldibenzofuran-4-yl)-9H-fluoren-3-yl]dibenzofuran |
| SMILES | CC(C)(C)c1ccc2oc3c(-c4ccc5c(c4)-c4cc(-c6cc(C(C)(C)C)cc7c6oc6ccc(C(C)(C)C)cc67)ccc4C5)cc(C(C)(C)C)cc3c2c1.CC(C)Cc1ccc2oc3c(-c4ccc5c(c4)-c4cc(-c6cc(CC(C)C)cc7c6oc6ccc(CC(C)C)cc67)ccc4C5)cc(CC(C)C)cc3c2c1.c1cc2c(cc1-c1ccc3sc4c(-c5ccc6c(c5)-c5cc(-c7cc(-c8ccc9c(c8)CCCC9)cc8c7sc7ccc(-c9ccc%10c(c9)CCCC%10)cc78)ccc5C6)cc(-c5ccc6c(c5)CCCC6)cc4c3c1)CCCC2.c1ccc(-c2ccccc2-c2ccc3sc4c(-c5ccc6c(c5)-c5cc(-c7cc(-c8ccccc8-c8ccccc8)cc8c7sc7ccc(-c9ccccc9-c9ccccc9)cc78)ccc5C6)cc(-c5ccccc5-c5ccccc5)cc4c3c2)cc1 |
| InChI | InChI=1S/C85H54S2.C77H62S2.2C53H54O2/c1-5-21-54(22-6-1)66-29-13-17-33-70(66)60-41-43-82-78(48-60)80-52-64(72-35-19-15-31-68(72)56-25-9-3-10-26-56)50-76(84(80)86-82)62-39-37-58-45-59-38-40-63(47-75(59)74(58)46-62)77-51-65(73-36-20-16-32-69(73)57-27-11-4-12-28-57)53-81-79-49-61(42-44-83(79)87-85(77)81)71-34-18-14-30-67(71)55-23-7-2-8-24-55;1-5-13-50-33-54(21-17-46(50)9-1)58-29-31-74-70(38-58)72-44-64(56-23-19-48-11-3-7-15-52(48)35-56)42-68(76(72)78-74)62-27-25-60-37-61-26-28-63(41-67(61)66(60)40-62)69-43-65(57-24-20-49-12-4-8-16-53(49)36-57)45-73-71-39-59(30-32-75(71)79-77(69)73)55-22-18-47-10-2-6-14-51(47)34-55;1-50(2,3)34-17-19-46-42(24-34)44-28-36(52(7,8)9)26-40(48(44)54-46)32-15-13-30-21-31-14-16-33(23-39(31)38(30)22-32)41-27-37(53(10,11)12)29-45-43-25-35(51(4,5)6)18-20-47(43)55-49(41)45;1-30(2)17-34-9-15-50-46(21-34)48-25-36(19-32(5)6)23-44(52(48)54-50)40-13-11-38-27-39-12-14-41(29-43(39)42(38)28-40)45-24-37(20-33(7)8)26-49-47-22-35(18-31(3)4)10-16-51(47)55-53(45)49/h1-44,46-53H,45H2;17-36,38-45H,1-16,37H2;13-20,22-29H,21H2,1-12H3;9-16,21-26,28-33H,17-20,27H2,1-8H3 |
| InChIKey | RYQBGLHHFKUKNF-UHFFFAOYSA-N |
| XLogP | 76.94 |
| TPSA | 52.56 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 8 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 276 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3637.00 |
| LogP ≤ 5 | 76.94 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |