C290H198 — CID 157226056
2,7-bis[4-(3,5-diphenylphenyl)phenyl]-9,9-bis(4-methylphenyl)fluorene;2,7-bis[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenylfluorene;2,7-bis[4-(3,5-diphenylphenyl)phenyl]-9-(4-methylphenyl)-9-(4-phenylphenyl)fluorene;4-[9-(4-methylphenyl)-9-naphthalen-1-yl-7-pyren-4-ylfluoren-2-yl]pyrene (PubChem CID 157226056) has the molecular formula C290H198 and a molecular weight of 3682.77 g/mol. Its IUPAC name is 2,7-bis[4-(3,5-diphenylphenyl)phenyl]-9,9-bis(4-methylphenyl)fluorene;2,7-bis[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenylfluorene;2,7-bis[4-(3,5-diphenylphenyl)phenyl]-9-(4-methylphenyl)-9-(4-phenylphenyl)fluorene;4-[9-(4-methylphenyl)-9-naphthalen-1-yl-7-pyren-4-ylfluoren-2-yl]pyrene.
| Compound Name | 2,7-bis[4-(3,5-diphenylphenyl)phenyl]-9,9-bis(4-methylphenyl)fluorene;2,7-bis[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenylfluorene;2,7-bis[4-(3,5-diphenylphenyl)phenyl]-9-(4-methylphenyl)-9-(4-phenylphenyl)fluorene;4-[9-(4-methylphenyl)-9-naphthalen-1-yl-7-pyren-4-ylfluoren-2-yl]pyrene |
|---|---|
| PubChem CID | 157226056 |
| Molecular Formula | C290H198 |
| Molecular Weight | 3682.77 g/mol |
| Exact Mass | 3679.55 |
| IUPAC Name | 2,7-bis[4-(3,5-diphenylphenyl)phenyl]-9,9-bis(4-methylphenyl)fluorene;2,7-bis[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenylfluorene;2,7-bis[4-(3,5-diphenylphenyl)phenyl]-9-(4-methylphenyl)-9-(4-phenylphenyl)fluorene;4-[9-(4-methylphenyl)-9-naphthalen-1-yl-7-pyren-4-ylfluoren-2-yl]pyrene |
| SMILES | Cc1ccc(C2(c3ccc(-c4ccccc4)cc3)c3cc(-c4ccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)cc4)ccc3-c3ccc(-c4ccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)cc4)cc32)cc1.Cc1ccc(C2(c3ccc(C)cc3)c3cc(-c4ccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)cc4)ccc3-c3ccc(-c4ccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)cc4)cc32)cc1.Cc1ccc(C2(c3cccc4ccccc34)c3cc(-c4cc5cccc6ccc7cccc4c7c65)ccc3-c3ccc(-c4cc5cccc6ccc7cccc4c7c65)cc32)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4cc(-c6ccc(-c7cc(-c8ccccc8)cc(-c8ccccc8)c7)cc6)ccc4-5)cc3)c2)cc1 |
| InChI | InChI=1S/C80H56.C75H54.C73H50.C62H38/c1-55-27-41-74(42-28-55)80(75-43-37-61(38-44-75)56-17-7-2-8-18-56)78-53-66(62-29-33-64(34-30-62)72-49-68(57-19-9-3-10-20-57)47-69(50-72)58-21-11-4-12-22-58)39-45-76(78)77-46-40-67(54-79(77)80)63-31-35-65(36-32-63)73-51-70(59-23-13-5-14-24-59)48-71(52-73)60-25-15-6-16-26-60;1-51-23-37-69(38-24-51)75(70-39-25-52(2)26-40-70)73-49-61(57-27-31-59(32-28-57)67-45-63(53-15-7-3-8-16-53)43-64(46-67)54-17-9-4-10-18-54)35-41-71(73)72-42-36-62(50-74(72)75)58-29-33-60(34-30-58)68-47-65(55-19-11-5-12-20-55)44-66(48-68)56-21-13-6-14-22-56;1-7-19-51(20-8-1)61-43-62(52-21-9-2-10-22-52)46-65(45-61)57-35-31-55(32-36-57)59-39-41-69-70-42-40-60(50-72(70)73(71(69)49-59,67-27-15-5-16-28-67)68-29-17-6-18-30-68)56-33-37-58(38-34-56)66-47-63(53-23-11-3-12-24-53)44-64(48-66)54-25-13-4-14-26-54;1-37-21-29-47(30-22-37)62(55-20-8-10-38-9-2-3-17-48(38)55)56-35-43(53-33-45-15-4-11-39-23-25-41-13-6-18-51(53)60(41)58(39)45)27-31-49(56)50-32-28-44(36-57(50)62)54-34-46-16-5-12-40-24-26-42-14-7-19-52(54)61(42)59(40)46/h2-54H,1H3;3-50H,1-2H3;1-50H;2-36H,1H3 |
| InChIKey | ATNXCPCARCFOOL-UHFFFAOYSA-N |
| XLogP | 77.39 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 35 |
| Heavy Atoms | 290 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3682.77 |
| LogP ≤ 5 | 77.39 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |