C252H158N4O4 — CID 158322252
N-(9,9-diphenylfluoren-2-yl)-5-naphthalen-1-yl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine;5-naphthalen-1-yl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-7-amine;5-naphthalen-1-yl-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-7-amine;5-naphthalen-1-yl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-7-amine (PubChem CID 158322252) has the molecular formula C252H158N4O4 and a molecular weight of 3306.06 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-5-naphthalen-1-yl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine;5-naphthalen-1-yl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-7-amine;5-naphthalen-1-yl-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-7-amine;5-naphthalen-1-yl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-7-amine.
| Compound Name | N-(9,9-diphenylfluoren-2-yl)-5-naphthalen-1-yl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine;5-naphthalen-1-yl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-7-amine;5-naphthalen-1-yl-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-7-amine;5-naphthalen-1-yl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-7-amine |
|---|---|
| PubChem CID | 158322252 |
| Molecular Formula | C252H158N4O4 |
| Molecular Weight | 3306.06 g/mol |
| Exact Mass | 3303.23 |
| IUPAC Name | N-(9,9-diphenylfluoren-2-yl)-5-naphthalen-1-yl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine;5-naphthalen-1-yl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-7-amine;5-naphthalen-1-yl-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-7-amine;5-naphthalen-1-yl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-7-amine |
| SMILES | c1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3cccc4oc5c6ccccc6c(-c6cccc7ccccc67)cc5c34)cc2)cc1.c1ccc(-c2cccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3cccc4oc5c6ccccc6c(-c6cccc7ccccc67)cc5c34)c2)cc1.c1ccc(-c2ccccc2N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2cccc3oc4c5ccccc5c(-c5cccc6ccccc56)cc4c23)cc1.c1ccc(-c2ccccc2N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c2cccc3oc4c5ccccc5c(-c5cccc6ccccc56)cc4c23)cc1 |
| InChI | InChI=1S/3C63H39NO.C63H41NO/c1-2-18-41(19-3-1)44-23-11-15-33-58(44)64(42-36-37-50-49-27-10-14-32-56(49)63(57(50)38-42)54-30-12-8-25-47(54)48-26-9-13-31-55(48)63)59-34-17-35-60-61(59)53-39-52(46-24-6-7-28-51(46)62(53)65-60)45-29-16-21-40-20-4-5-22-43(40)45;1-2-17-40(18-3-1)42-21-14-22-43(37-42)64(44-35-36-51-50-27-10-13-32-57(50)63(58(51)38-44)55-30-11-8-25-48(55)49-26-9-12-31-56(49)63)59-33-16-34-60-61(59)54-39-53(47-24-6-7-28-52(47)62(54)65-60)46-29-15-20-41-19-4-5-23-45(41)46;1-2-16-40(17-3-1)41-32-34-43(35-33-41)64(44-36-37-51-50-24-10-13-29-57(50)63(58(51)38-44)55-27-11-8-22-48(55)49-23-9-12-28-56(49)63)59-30-15-31-60-61(59)54-39-53(47-21-6-7-25-52(47)62(54)65-60)46-26-14-19-42-18-4-5-20-45(42)46;1-4-20-43(21-5-1)48-29-15-17-35-58(48)64(46-38-39-52-51-31-14-16-34-56(51)63(57(52)40-46,44-24-6-2-7-25-44)45-26-8-3-9-27-45)59-36-19-37-60-61(59)55-41-54(50-30-12-13-32-53(50)62(55)65-60)49-33-18-23-42-22-10-11-28-47(42)49/h3*1-39H;1-41H |
| InChIKey | GOZLKSNIYBAXCX-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 |