C306H208 — CID 159627804
1-[4-[3,5-bis(4-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene;9-[3,5-di(phenanthren-9-yl)phenyl]phenanthrene;4-[3,5-di(pyren-4-yl)phenyl]pyrene;2,2',7,7'-tetrakis[4-(2,4,6-trimethylphenyl)phenyl]-9,9'-spirobi[fluorene];2,2',7,7'-tetranaphthalen-1-yl-9,9'-spirobi[fluorene] (PubChem CID 159627804) has the molecular formula C306H208 and a molecular weight of 3885.03 g/mol. Its IUPAC name is 1-[4-[3,5-bis(4-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene;9-[3,5-di(phenanthren-9-yl)phenyl]phenanthrene;4-[3,5-di(pyren-4-yl)phenyl]pyrene;2,2',7,7'-tetrakis[4-(2,4,6-trimethylphenyl)phenyl]-9,9'-spirobi[fluorene];2,2',7,7'-tetranaphthalen-1-yl-9,9'-spirobi[fluorene].
| Compound Name | 1-[4-[3,5-bis(4-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene;9-[3,5-di(phenanthren-9-yl)phenyl]phenanthrene;4-[3,5-di(pyren-4-yl)phenyl]pyrene;2,2',7,7'-tetrakis[4-(2,4,6-trimethylphenyl)phenyl]-9,9'-spirobi[fluorene];2,2',7,7'-tetranaphthalen-1-yl-9,9'-spirobi[fluorene] |
|---|---|
| PubChem CID | 159627804 |
| Molecular Formula | C306H208 |
| Molecular Weight | 3885.03 g/mol |
| Exact Mass | 3881.63 |
| IUPAC Name | 1-[4-[3,5-bis(4-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene;9-[3,5-di(phenanthren-9-yl)phenyl]phenanthrene;4-[3,5-di(pyren-4-yl)phenyl]pyrene;2,2',7,7'-tetrakis[4-(2,4,6-trimethylphenyl)phenyl]-9,9'-spirobi[fluorene];2,2',7,7'-tetranaphthalen-1-yl-9,9'-spirobi[fluorene] |
| SMILES | Cc1cc(C)c(-c2ccc(-c3ccc4c(c3)C3(c5cc(-c6ccc(-c7c(C)cc(C)cc7C)cc6)ccc5-4)c4cc(-c5ccc(-c6c(C)cc(C)cc6C)cc5)ccc4-c4ccc(-c5ccc(-c6c(C)cc(C)cc6C)cc5)cc43)cc2)c(C)c1.c1cc2ccc3cccc4c(-c5cc(-c6cc7cccc8ccc9cccc6c9c87)cc(-c6cc7cccc8ccc9cccc6c9c87)c5)cc(c1)c2c34.c1ccc2c(-c3ccc(-c4cc(-c5ccc(-c6cccc7ccccc67)cc5)cc(-c5ccc(-c6cccc7ccccc67)cc5)c4)cc3)cccc2c1.c1ccc2c(-c3ccc4c(c3)C3(c5cc(-c6cccc7ccccc67)ccc5-4)c4cc(-c5cccc6ccccc56)ccc4-c4ccc(-c5cccc6ccccc56)cc43)cccc2c1.c1ccc2c(c1)cc(-c1cc(-c3cc4ccccc4c4ccccc34)cc(-c3cc4ccccc4c4ccccc34)c1)c1ccccc12 |
| InChI | InChI=1S/C85H72.C65H40.C54H30.C54H36.C48H30/c1-49-37-53(5)81(54(6)38-49)65-21-13-61(14-22-65)69-29-33-73-74-34-30-70(62-15-23-66(24-16-62)82-55(7)39-50(2)40-56(82)8)46-78(74)85(77(73)45-69)79-47-71(63-17-25-67(26-18-63)83-57(9)41-51(3)42-58(83)10)31-35-75(79)76-36-32-72(48-80(76)85)64-19-27-68(28-20-64)84-59(11)43-52(4)44-60(84)12;1-5-21-49-41(13-1)17-9-25-53(49)45-29-33-57-58-34-30-46(54-26-10-18-42-14-2-6-22-50(42)54)38-62(58)65(61(57)37-45)63-39-47(55-27-11-19-43-15-3-7-23-51(43)55)31-35-59(63)60-36-32-48(40-64(60)65)56-28-12-20-44-16-4-8-24-52(44)56;1-7-31-19-22-34-10-4-16-43-46(28-37(13-1)49(31)52(34)43)40-25-41(47-29-38-14-2-8-32-20-23-35-11-5-17-44(47)53(35)50(32)38)27-42(26-40)48-30-39-15-3-9-33-21-24-36-12-6-18-45(48)54(36)51(33)39;1-4-16-49-40(10-1)13-7-19-52(49)43-28-22-37(23-29-43)46-34-47(38-24-30-44(31-25-38)53-20-8-14-41-11-2-5-17-50(41)53)36-48(35-46)39-26-32-45(33-27-39)54-21-9-15-42-12-3-6-18-51(42)54;1-4-16-37-31(13-1)28-46(43-22-10-7-19-40(37)43)34-25-35(47-29-32-14-2-5-17-38(32)41-20-8-11-23-44(41)47)27-36(26-34)48-30-33-15-3-6-18-39(33)42-21-9-12-24-45(42)48/h13-48H,1-12H3;1-40H;1-30H;1-36H;1-30H |
| InChIKey | MOSNRHLRYSSFQS-UHFFFAOYSA-N |
| XLogP | 84.51 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 24 |
| Heavy Atoms | 306 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3885.03 |
| LogP ≤ 5 | 84.51 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |