C324H248N8 — CID 159033487
1-[2,7-bis(4-tert-butylphenyl)anthracen-9-yl]-2,5-diphenylpyrrole;1-[2,7-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-2,5-diphenylpyrrole;1-[2,7-bis(4-phenylphenyl)anthracen-9-yl]-2,5-diphenylpyrrole;1-[9,10-ditert-butyl-6-(2,5-diphenylpyrrol-1-yl)anthracen-2-yl]-2,5-diphenylpyrrole;1-[2,7-di(phenanthren-9-yl)anthracen-9-yl]-2,5-diphenylpyrrole;1-[6-(2,5-diphenylpyrrol-1-yl)-9,10-dimethylanthracen-2-yl]-2,5-diphenylpyrrole (PubChem CID 159033487) has the molecular formula C324H248N8 and a molecular weight of 4253.60 g/mol. Its IUPAC name is 1-[2,7-bis(4-tert-butylphenyl)anthracen-9-yl]-2,5-diphenylpyrrole;1-[2,7-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-2,5-diphenylpyrrole;1-[2,7-bis(4-phenylphenyl)anthracen-9-yl]-2,5-diphenylpyrrole;1-[9,10-ditert-butyl-6-(2,5-diphenylpyrrol-1-yl)anthracen-2-yl]-2,5-diphenylpyrrole;1-[2,7-di(phenanthren-9-yl)anthracen-9-yl]-2,5-diphenylpyrrole;1-[6-(2,5-diphenylpyrrol-1-yl)-9,10-dimethylanthracen-2-yl]-2,5-diphenylpyrrole.
| Compound Name | 1-[2,7-bis(4-tert-butylphenyl)anthracen-9-yl]-2,5-diphenylpyrrole;1-[2,7-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-2,5-diphenylpyrrole;1-[2,7-bis(4-phenylphenyl)anthracen-9-yl]-2,5-diphenylpyrrole;1-[9,10-ditert-butyl-6-(2,5-diphenylpyrrol-1-yl)anthracen-2-yl]-2,5-diphenylpyrrole;1-[2,7-di(phenanthren-9-yl)anthracen-9-yl]-2,5-diphenylpyrrole;1-[6-(2,5-diphenylpyrrol-1-yl)-9,10-dimethylanthracen-2-yl]-2,5-diphenylpyrrole |
|---|---|
| PubChem CID | 159033487 |
| Molecular Formula | C324H248N8 |
| Molecular Weight | 4253.60 g/mol |
| Exact Mass | 4249.97 |
| IUPAC Name | 1-[2,7-bis(4-tert-butylphenyl)anthracen-9-yl]-2,5-diphenylpyrrole;1-[2,7-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-2,5-diphenylpyrrole;1-[2,7-bis(4-phenylphenyl)anthracen-9-yl]-2,5-diphenylpyrrole;1-[9,10-ditert-butyl-6-(2,5-diphenylpyrrol-1-yl)anthracen-2-yl]-2,5-diphenylpyrrole;1-[2,7-di(phenanthren-9-yl)anthracen-9-yl]-2,5-diphenylpyrrole;1-[6-(2,5-diphenylpyrrol-1-yl)-9,10-dimethylanthracen-2-yl]-2,5-diphenylpyrrole |
| SMILES | CC(C)(C)c1c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2c(C(C)(C)C)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc12.CC(C)(C)c1ccc(-c2ccc3cc4ccc(-c5ccc(C(C)(C)C)cc5)cc4c(-n4c(-c5ccccc5)ccc4-c4ccccc4)c3c2)cc1.CC1(C)c2ccccc2-c2ccc(-c3ccc4cc5ccc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc5c(-n5c(-c6ccccc6)ccc5-c5ccccc5)c4c3)cc21.Cc1c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2c(C)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc12.c1ccc(-c2ccc(-c3ccc4cc5ccc(-c6ccc(-c7ccccc7)cc6)cc5c(-n5c(-c6ccccc6)ccc5-c5ccccc5)c4c3)cc2)cc1.c1ccc(-c2ccc(-c3ccccc3)n2-c2c3cc(-c4cc5ccccc5c5ccccc45)ccc3cc3ccc(-c4cc5ccccc5c5ccccc45)cc23)cc1 |
| InChI | InChI=1S/C60H45N.C58H37N.C54H48N2.C54H37N.C50H45N.C48H36N2/c1-59(2)52-21-13-11-19-46(52)48-29-27-42(36-54(48)59)40-23-25-44-33-45-26-24-41(43-28-30-49-47-20-12-14-22-53(47)60(3,4)55(49)37-43)35-51(45)58(50(44)34-40)61-56(38-15-7-5-8-16-38)31-32-57(61)39-17-9-6-10-18-39;1-3-15-38(16-4-1)56-31-32-57(39-17-5-2-6-18-39)59(56)58-54-36-44(52-34-40-19-7-9-21-46(40)48-23-11-13-25-50(48)52)29-27-42(54)33-43-28-30-45(37-55(43)58)53-35-41-20-8-10-22-47(41)49-24-12-14-26-51(49)53;1-53(2,3)51-43-29-27-42(56-49(39-23-15-9-16-24-39)33-34-50(56)40-25-17-10-18-26-40)36-46(43)52(54(4,5)6)44-30-28-41(35-45(44)51)55-47(37-19-11-7-12-20-37)31-32-48(55)38-21-13-8-14-22-38;1-5-13-38(14-6-1)40-21-25-42(26-22-40)46-29-31-48-35-49-32-30-47(43-27-23-41(24-28-43)39-15-7-2-8-16-39)37-51(49)54(50(48)36-46)55-52(44-17-9-3-10-18-44)33-34-53(55)45-19-11-4-12-20-45;1-49(2,3)42-25-21-34(22-26-42)38-17-19-40-31-41-20-18-39(35-23-27-43(28-24-35)50(4,5)6)33-45(41)48(44(40)32-38)51-46(36-13-9-7-10-14-36)29-30-47(51)37-15-11-8-12-16-37;1-33-41-25-23-40(50-47(37-19-11-5-12-20-37)29-30-48(50)38-21-13-6-14-22-38)32-44(41)34(2)42-26-24-39(31-43(33)42)49-45(35-15-7-3-8-16-35)27-28-46(49)36-17-9-4-10-18-36/h5-37H,1-4H3;1-37H;7-36H,1-6H3;1-37H;7-33H,1-6H3;3-32H,1-2H3 |
| InChIKey | JVEDLGOIQDDUKN-UHFFFAOYSA-N |
| XLogP | 88.66 |
| TPSA | 39.44 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 8 |
| Rotatable Bonds | 34 |
| Heavy Atoms | 332 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4253.60 |
| LogP ≤ 5 | 88.66 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |