C183H113N3O9 — CID 159689276
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine (PubChem CID 159689276) has the molecular formula C183H113N3O9 and a molecular weight of 2497.93 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine.
| Compound Name | N-(4-dibenzofuran-4-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine |
|---|---|
| PubChem CID | 159689276 |
| Molecular Formula | C183H113N3O9 |
| Molecular Weight | 2497.93 g/mol |
| Exact Mass | 2495.85 |
| IUPAC Name | N-(4-dibenzofuran-4-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine |
| SMILES | c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccc5c(c4)Oc4c(oc6ccccc46)C54c5ccccc5-c5ccccc54)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4c(c3)Oc3c(oc5ccccc35)C43c4ccccc4-c4ccccc43)cc2)cc1.c1ccc(-c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4c(c3)Oc3c(oc5ccccc35)C43c4ccccc4-c4ccccc43)cc2)cc1 |
| InChI | InChI=1S/2C63H39NO3.C57H35NO3/c1-2-13-40(14-3-1)41-25-27-42(28-26-41)43-29-33-45(34-30-43)64(46-35-31-44(32-36-46)48-19-12-20-52-51-17-6-10-23-57(51)65-60(48)52)47-37-38-56-59(39-47)66-61-53-18-7-11-24-58(53)67-62(61)63(56)54-21-8-4-15-49(54)50-16-5-9-22-55(50)63;1-2-15-40(16-3-1)46-17-4-5-18-47(46)41-29-33-43(34-30-41)64(44-35-31-42(32-36-44)48-23-14-24-52-51-21-8-12-27-57(51)65-60(48)52)45-37-38-56-59(39-45)66-61-53-22-9-13-28-58(53)67-62(61)63(56)54-25-10-6-19-49(54)50-20-7-11-26-55(50)63;1-2-13-36(14-3-1)37-25-29-39(30-26-37)58(40-31-27-38(28-32-40)42-19-12-20-46-45-17-6-10-23-51(45)59-54(42)46)41-33-34-50-53(35-41)60-55-47-18-7-11-24-52(47)61-56(55)57(50)48-21-8-4-15-43(48)44-16-5-9-22-49(44)57/h2*1-39H;1-35H |
| InChIKey | MWEXRKLPNLXRBV-UHFFFAOYSA-N |
| XLogP | 50.15 |
| TPSA | 116.25 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 17 |
| Heavy Atoms | 195 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2497.93 |
| LogP ≤ 5 | 50.15 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |