C320H224 — CID 159745949
9,10-bis(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanthracene;2-tert-butyl-6-naphthalen-2-yl-10-(3-phenylphenyl)-9-(4-phenylphenyl)anthracene;2-(9,9-dimethylfluoren-2-yl)-6,9,10-triphenylanthracene;2-(9,9-diphenylfluoren-3-yl)-10-phenyl-9-(4-phenylnaphthalen-1-yl)anthracene;9-(5-naphthalen-1-ylnaphthalen-1-yl)-2,6-diphenyl-10-(3-phenylphenyl)anthracene;9-(4-naphthalen-1-ylphenyl)-2,6,10-triphenylanthracene (PubChem CID 159745949) has the molecular formula C320H224 and a molecular weight of 4069.31 g/mol. Its IUPAC name is 9,10-bis(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanthracene;2-tert-butyl-6-naphthalen-2-yl-10-(3-phenylphenyl)-9-(4-phenylphenyl)anthracene;2-(9,9-dimethylfluoren-2-yl)-6,9,10-triphenylanthracene;2-(9,9-diphenylfluoren-3-yl)-10-phenyl-9-(4-phenylnaphthalen-1-yl)anthracene;9-(5-naphthalen-1-ylnaphthalen-1-yl)-2,6-diphenyl-10-(3-phenylphenyl)anthracene;9-(4-naphthalen-1-ylphenyl)-2,6,10-triphenylanthracene.
| Compound Name | 9,10-bis(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanthracene;2-tert-butyl-6-naphthalen-2-yl-10-(3-phenylphenyl)-9-(4-phenylphenyl)anthracene;2-(9,9-dimethylfluoren-2-yl)-6,9,10-triphenylanthracene;2-(9,9-diphenylfluoren-3-yl)-10-phenyl-9-(4-phenylnaphthalen-1-yl)anthracene;9-(5-naphthalen-1-ylnaphthalen-1-yl)-2,6-diphenyl-10-(3-phenylphenyl)anthracene;9-(4-naphthalen-1-ylphenyl)-2,6,10-triphenylanthracene |
|---|---|
| PubChem CID | 159745949 |
| Molecular Formula | C320H224 |
| Molecular Weight | 4069.31 g/mol |
| Exact Mass | 4065.75 |
| IUPAC Name | 9,10-bis(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanthracene;2-tert-butyl-6-naphthalen-2-yl-10-(3-phenylphenyl)-9-(4-phenylphenyl)anthracene;2-(9,9-dimethylfluoren-2-yl)-6,9,10-triphenylanthracene;2-(9,9-diphenylfluoren-3-yl)-10-phenyl-9-(4-phenylnaphthalen-1-yl)anthracene;9-(5-naphthalen-1-ylnaphthalen-1-yl)-2,6-diphenyl-10-(3-phenylphenyl)anthracene;9-(4-naphthalen-1-ylphenyl)-2,6,10-triphenylanthracene |
| SMILES | CC(C)(C)c1ccc2c(-c3cccc(-c4ccccc4)c3)c3cc(-c4ccc5ccccc5c4)ccc3c(-c3ccc(-c4ccccc4)cc3)c2c1.CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cc(-c5ccc6ccccc6c5)ccc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc4c(-c5ccccc5)c5cc(-c6ccccc6)ccc5c(-c5ccccc5)c4c3)cc21.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccc(-c5ccc6c(c5)-c5ccccc5C6(c5ccccc5)c5ccccc5)cc34)c3ccccc23)cc1.c1ccc(-c2ccc3c(-c4ccc(-c5cccc6ccccc56)cc4)c4cc(-c5ccccc5)ccc4c(-c4ccccc4)c3c2)cc1.c1ccc(-c2cccc(-c3c4cc(-c5ccccc5)ccc4c(-c4cccc5c(-c6cccc7ccccc67)cccc45)c4cc(-c5ccccc5)ccc34)c2)cc1 |
| InChI | InChI=1S/C61H40.C58H38.C54H40.C52H40.C48H32.C47H34/c1-5-19-41(20-6-1)47-36-37-53(49-28-14-13-27-48(47)49)60-52-31-16-15-30-51(52)59(42-21-7-2-8-22-42)54-35-33-43(40-56(54)60)44-34-38-58-55(39-44)50-29-17-18-32-57(50)61(58,45-23-9-3-10-24-45)46-25-11-4-12-26-46;1-4-16-39(17-5-1)43-24-12-25-46(36-43)57-53-34-32-45(41-20-8-3-9-21-41)38-56(53)58(54-35-33-44(37-55(54)57)40-18-6-2-7-19-40)52-31-15-29-50-49(28-14-30-51(50)52)48-27-13-23-42-22-10-11-26-47(42)48;1-53(2)47-19-11-9-15-39(47)41-26-24-37(31-49(41)53)51-43-17-7-8-18-44(43)52(38-25-27-42-40-16-10-12-20-48(40)54(3,4)50(42)32-38)46-30-36(23-28-45(46)51)35-22-21-33-13-5-6-14-34(33)29-35;1-52(2,3)45-28-30-47-49(34-45)50(39-24-21-38(22-25-39)35-13-6-4-7-14-35)46-29-27-43(42-26-23-37-17-10-11-18-40(37)31-42)33-48(46)51(47)44-20-12-19-41(32-44)36-15-8-5-9-16-36;1-4-13-33(14-5-1)39-28-30-44-45(31-39)47(37-18-8-3-9-19-37)43-29-27-40(34-15-6-2-7-16-34)32-46(43)48(44)38-25-23-36(24-26-38)42-22-12-20-35-17-10-11-21-41(35)42;1-47(2)43-21-13-12-20-37(43)38-25-22-36(30-44(38)47)35-24-27-40-42(29-35)46(33-18-10-5-11-19-33)39-26-23-34(31-14-6-3-7-15-31)28-41(39)45(40)32-16-8-4-9-17-32/h1-40H;1-38H;5-32H,1-4H3;4-34H,1-3H3;1-32H;3-30H,1-2H3 |
| InChIKey | NDAVIYPQUTUKEY-UHFFFAOYSA-N |
| XLogP | 88.47 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 29 |
| Heavy Atoms | 320 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4069.31 |
| LogP ≤ 5 | 88.47 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |