C189H117N3O3 — CID 159658922
5-naphthalen-2-yl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[1,2-b][1]benzofuran-7-amine;5-naphthalen-2-yl-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[1,2-b][1]benzofuran-7-amine;5-naphthalen-2-yl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[1,2-b][1]benzofuran-7-amine (PubChem CID 159658922) has the molecular formula C189H117N3O3 and a molecular weight of 2478.03 g/mol. Its IUPAC name is 5-naphthalen-2-yl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[1,2-b][1]benzofuran-7-amine;5-naphthalen-2-yl-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[1,2-b][1]benzofuran-7-amine;5-naphthalen-2-yl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[1,2-b][1]benzofuran-7-amine.
| Compound Name | 5-naphthalen-2-yl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[1,2-b][1]benzofuran-7-amine;5-naphthalen-2-yl-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[1,2-b][1]benzofuran-7-amine;5-naphthalen-2-yl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[1,2-b][1]benzofuran-7-amine |
|---|---|
| PubChem CID | 159658922 |
| Molecular Formula | C189H117N3O3 |
| Molecular Weight | 2478.03 g/mol |
| Exact Mass | 2475.91 |
| IUPAC Name | 5-naphthalen-2-yl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[1,2-b][1]benzofuran-7-amine;5-naphthalen-2-yl-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[1,2-b][1]benzofuran-7-amine;5-naphthalen-2-yl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[1,2-b][1]benzofuran-7-amine |
| SMILES | c1ccc(-c2ccc(N(c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)c3cccc4oc5c6ccccc6c(-c6ccc7ccccc7c6)cc5c34)cc2)cc1.c1ccc(-c2cccc(N(c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)c3cccc4oc5c6ccccc6c(-c6ccc7ccccc7c6)cc5c34)c2)cc1.c1ccc(-c2ccccc2N(c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)c2cccc3oc4c5ccccc5c(-c5ccc6ccccc6c5)cc4c23)cc1 |
| InChI | InChI=1S/3C63H39NO/c1-2-19-41(20-3-1)44-22-11-15-32-56(44)64(57-33-16-31-55-60(57)49-27-10-14-30-54(49)63(55)52-28-12-8-24-46(52)47-25-9-13-29-53(47)63)58-34-17-35-59-61(58)51-39-50(45-23-6-7-26-48(45)62(51)65-59)43-37-36-40-18-4-5-21-42(40)38-43;1-2-17-40(18-3-1)43-21-14-22-45(38-43)64(57-32-15-31-56-60(57)50-27-10-13-30-55(50)63(56)53-28-11-8-24-47(53)48-25-9-12-29-54(48)63)58-33-16-34-59-61(58)52-39-51(46-23-6-7-26-49(46)62(52)65-59)44-36-35-41-19-4-5-20-42(41)37-44;1-2-16-40(17-3-1)42-34-36-45(37-35-42)64(57-29-14-28-56-60(57)50-24-10-13-27-55(50)63(56)53-25-11-8-21-47(53)48-22-9-12-26-54(48)63)58-30-15-31-59-61(58)52-39-51(46-20-6-7-23-49(46)62(52)65-59)44-33-32-41-18-4-5-19-43(41)38-44/h3*1-39H |
| InChIKey | MSNPTWLCCLUQGB-UHFFFAOYSA-N |
| XLogP | 51.12 |
| TPSA | 49.14 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 195 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2478.03 |
| LogP ≤ 5 | 51.12 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |