C252H158N4O4 — CID 159073587
N-(9,9-diphenylfluoren-2-yl)-7-naphthalen-2-yl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine;7-naphthalen-2-yl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-5-amine;7-naphthalen-2-yl-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-5-amine;7-naphthalen-2-yl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-5-amine (PubChem CID 159073587) has the molecular formula C252H158N4O4 and a molecular weight of 3306.06 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-7-naphthalen-2-yl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine;7-naphthalen-2-yl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-5-amine;7-naphthalen-2-yl-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-5-amine;7-naphthalen-2-yl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-5-amine.
| Compound Name | N-(9,9-diphenylfluoren-2-yl)-7-naphthalen-2-yl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine;7-naphthalen-2-yl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-5-amine;7-naphthalen-2-yl-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-5-amine;7-naphthalen-2-yl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-5-amine |
|---|---|
| PubChem CID | 159073587 |
| Molecular Formula | C252H158N4O4 |
| Molecular Weight | 3306.06 g/mol |
| Exact Mass | 3303.23 |
| IUPAC Name | N-(9,9-diphenylfluoren-2-yl)-7-naphthalen-2-yl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine;7-naphthalen-2-yl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-5-amine;7-naphthalen-2-yl-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-5-amine;7-naphthalen-2-yl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-5-amine |
| SMILES | c1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3cc4c(oc5cccc(-c6ccc7ccccc7c6)c54)c4ccccc34)cc2)cc1.c1ccc(-c2cccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3cc4c(oc5cccc(-c6ccc7ccccc7c6)c54)c4ccccc34)c2)cc1.c1ccc(-c2ccccc2N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2cc3c(oc4cccc(-c5ccc6ccccc6c5)c43)c3ccccc23)cc1.c1ccc(-c2ccccc2N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c2cc3c(oc4cccc(-c5ccc6ccccc6c5)c43)c3ccccc23)cc1 |
| InChI | InChI=1S/3C63H39NO.C63H41NO/c1-2-18-41(19-3-1)45-21-11-15-31-58(45)64(44-35-36-50-49-24-10-14-30-56(49)63(57(50)38-44)54-28-12-8-22-47(54)48-23-9-13-29-55(48)63)59-39-53-61-46(43-34-33-40-17-4-5-20-42(40)37-43)27-16-32-60(61)65-62(53)52-26-7-6-25-51(52)59;1-2-16-40(17-3-1)43-20-14-21-45(37-43)64(46-34-35-51-50-24-10-13-30-57(50)63(58(51)38-46)55-28-11-8-22-48(55)49-23-9-12-29-56(49)63)59-39-54-61-47(44-33-32-41-18-4-5-19-42(41)36-44)27-15-31-60(61)65-62(54)53-26-7-6-25-52(53)59;1-2-15-40(16-3-1)42-31-33-45(34-32-42)64(46-35-36-51-50-21-10-13-27-57(50)63(58(51)38-46)55-25-11-8-19-48(55)49-20-9-12-26-56(49)63)59-39-54-61-47(44-30-29-41-17-4-5-18-43(41)37-44)24-14-28-60(61)65-62(54)53-23-7-6-22-52(53)59;1-4-20-43(21-5-1)49-27-15-17-33-58(49)64(48-37-38-52-51-28-14-16-32-56(51)63(57(52)40-48,46-23-6-2-7-24-46)47-25-8-3-9-26-47)59-41-55-61-50(45-36-35-42-19-10-11-22-44(42)39-45)31-18-34-60(61)65-62(55)54-30-13-12-29-53(54)59/h3*1-39H;1-41H |
| InChIKey | JZYUOKYRQAEYBY-UHFFFAOYSA-N |
| XLogP | 68.18 |
| TPSA | 65.52 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 8 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 260 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3306.06 |
| LogP ≤ 5 | 68.18 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |