C182H129N3O3 — CID 159656584
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenyl]-7-phenylfluoren-2-amine;9,9-dimethyl-N-naphthalen-1-yl-N-[4-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenyl]-7-phenylfluoren-2-amine;9,9-dimethyl-N-naphthalen-2-yl-N-[4-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenyl]-7-phenylfluoren-2-amine (PubChem CID 159656584) has the molecular formula C182H129N3O3 and a molecular weight of 2406.05 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenyl]-7-phenylfluoren-2-amine;9,9-dimethyl-N-naphthalen-1-yl-N-[4-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenyl]-7-phenylfluoren-2-amine;9,9-dimethyl-N-naphthalen-2-yl-N-[4-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenyl]-7-phenylfluoren-2-amine.
| Compound Name | N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenyl]-7-phenylfluoren-2-amine;9,9-dimethyl-N-naphthalen-1-yl-N-[4-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenyl]-7-phenylfluoren-2-amine;9,9-dimethyl-N-naphthalen-2-yl-N-[4-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenyl]-7-phenylfluoren-2-amine |
|---|---|
| PubChem CID | 159656584 |
| Molecular Formula | C182H129N3O3 |
| Molecular Weight | 2406.05 g/mol |
| Exact Mass | 2404.00 |
| IUPAC Name | N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenyl]-7-phenylfluoren-2-amine;9,9-dimethyl-N-naphthalen-1-yl-N-[4-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenyl]-7-phenylfluoren-2-amine;9,9-dimethyl-N-naphthalen-2-yl-N-[4-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenyl]-7-phenylfluoren-2-amine |
| SMILES | CC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccc6oc7ccc8ccccc8c7c6c5)cc4)cc3)c3ccc4ccccc4c3)cc21.CC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccc6oc7ccc8ccccc8c7c6c5)cc4)cc3)c3cccc4ccccc34)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccc6oc7ccc8ccccc8c7c6c5)cc4)cc3)c3ccc4c(c3)C(C)(C)c3cc(-c5ccccc5)ccc3-4)cc21 |
| InChI | InChI=1S/C64H47NO.2C59H41NO/c1-63(2)56-17-11-10-16-51(56)53-32-29-48(38-58(53)63)65(49-30-33-54-52-31-24-46(40-12-6-5-7-13-40)37-57(52)64(3,4)59(54)39-49)47-27-22-42(23-28-47)41-18-20-43(21-19-41)45-26-34-60-55(36-45)62-50-15-9-8-14-44(50)25-35-61(62)66-60;1-59(2)53-36-45(38-11-4-3-5-12-38)25-31-50(53)51-32-30-47(37-54(51)59)60(55-18-10-15-42-13-6-8-16-48(42)55)46-28-23-40(24-29-46)39-19-21-41(22-20-39)44-27-33-56-52(35-44)58-49-17-9-7-14-43(49)26-34-57(58)61-56;1-59(2)54-36-46(38-10-4-3-5-11-38)23-30-51(54)52-31-29-49(37-55(52)59)60(48-28-22-39-12-6-7-14-44(39)34-48)47-26-20-41(21-27-47)40-16-18-42(19-17-40)45-25-32-56-53(35-45)58-50-15-9-8-13-43(50)24-33-57(58)61-56/h5-39H,1-4H3;2*3-37H,1-2H3 |
| InChIKey | MSGIZHGTXYFLML-UHFFFAOYSA-N |
| XLogP | 51.16 |
| TPSA | 49.14 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 188 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2406.05 |
| LogP ≤ 5 | 51.16 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |