C165H101N3O8S — CID 161152481
N-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-7-amine;N-dibenzofuran-3-yl-N-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-7-amine;N-dibenzothiophen-3-yl-N-[4-(4-phenylphenyl)phenyl]spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-7-amine (PubChem CID 161152481) has the molecular formula C165H101N3O8S and a molecular weight of 2285.70 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-7-amine;N-dibenzofuran-3-yl-N-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-7-amine;N-dibenzothiophen-3-yl-N-[4-(4-phenylphenyl)phenyl]spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-7-amine.
| Compound Name | N-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-7-amine;N-dibenzofuran-3-yl-N-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-7-amine;N-dibenzothiophen-3-yl-N-[4-(4-phenylphenyl)phenyl]spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-7-amine |
|---|---|
| PubChem CID | 161152481 |
| Molecular Formula | C165H101N3O8S |
| Molecular Weight | 2285.70 g/mol |
| Exact Mass | 2283.73 |
| IUPAC Name | N-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-7-amine;N-dibenzofuran-3-yl-N-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-7-amine;N-dibenzothiophen-3-yl-N-[4-(4-phenylphenyl)phenyl]spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-7-amine |
| SMILES | c1ccc(-c2ccc(-c3ccc(N(c4ccc5c(c4)oc4ccccc45)c4ccc5oc6c(c5c4)Oc4ccccc4C64c5ccccc5-c5ccccc54)cc3)cc2)cc1.c1ccc(-c2ccc(-c3ccc(N(c4ccc5c(c4)sc4ccccc45)c4ccc5oc6c(c5c4)Oc4ccccc4C64c5ccccc5-c5ccccc54)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4oc5c(c4c3)Oc3ccccc3C53c4ccccc4-c4ccccc43)cc2)cc1 |
| InChI | InChI=1S/C57H35NO3.C57H35NO2S.C51H31NO3/c1-2-12-36(13-3-1)37-22-24-38(25-23-37)39-26-28-40(29-27-39)58(42-30-32-46-45-16-6-10-20-51(45)59-54(46)35-42)41-31-33-52-47(34-41)55-56(61-52)57(50-19-9-11-21-53(50)60-55)48-17-7-4-14-43(48)44-15-5-8-18-49(44)57;1-2-12-36(13-3-1)37-22-24-38(25-23-37)39-26-28-40(29-27-39)58(42-30-32-46-45-16-6-11-21-53(45)61-54(46)35-42)41-31-33-51-47(34-41)55-56(60-51)57(50-19-9-10-20-52(50)59-55)48-17-7-4-14-43(48)44-15-5-8-18-49(44)57;1-2-12-32(13-3-1)33-22-24-34(25-23-33)52(36-26-28-40-39-16-6-10-20-45(39)53-48(40)31-36)35-27-29-46-41(30-35)49-50(55-46)51(44-19-9-11-21-47(44)54-49)42-17-7-4-14-37(42)38-15-5-8-18-43(38)51/h2*1-35H;1-31H |
| InChIKey | UOWDILPRQQDXAN-UHFFFAOYSA-N |
| XLogP | 45.62 |
| TPSA | 103.11 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 14 |
| Heavy Atoms | 177 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2285.70 |
| LogP ≤ 5 | 45.62 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |