C194H119N7O6 — CID 159785711
2-phenyl-5-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,4-oxadiazole;3-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyridazine;2-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)benzonitrile;3-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)benzonitrile;4-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)benzonitrile (PubChem CID 159785711) has the molecular formula C194H119N7O6 and a molecular weight of 2644.13 g/mol. Its IUPAC name is 2-phenyl-5-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,4-oxadiazole;3-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyridazine;2-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)benzonitrile;3-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)benzonitrile;4-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)benzonitrile.
| Compound Name | 2-phenyl-5-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,4-oxadiazole;3-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyridazine;2-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)benzonitrile;3-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)benzonitrile;4-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)benzonitrile |
|---|---|
| PubChem CID | 159785711 |
| Molecular Formula | C194H119N7O6 |
| Molecular Weight | 2644.13 g/mol |
| Exact Mass | 2641.92 |
| IUPAC Name | 2-phenyl-5-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,4-oxadiazole;3-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyridazine;2-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)benzonitrile;3-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)benzonitrile;4-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)benzonitrile |
| SMILES | N#Cc1ccc(-c2cccc(-c3cccc4c3Oc3ccccc3C43c4ccccc4-c4ccccc43)c2)cc1.N#Cc1cccc(-c2cccc(-c3cccc4c3Oc3ccccc3C43c4ccccc4-c4ccccc43)c2)c1.N#Cc1ccccc1-c1cccc(-c2cccc3c2Oc2ccccc2C32c3ccccc3-c3ccccc32)c1.c1ccc(-c2ccc(-c3cccc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5ccccc54)c3)nn2)cc1.c1ccc(-c2nnc(-c3cccc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5ccccc54)c3)o2)cc1 |
| InChI | InChI=1S/C41H26N2O.C39H24N2O2.3C38H23NO/c1-2-12-27(13-3-1)37-24-25-38(43-42-37)29-15-10-14-28(26-29)30-18-11-22-36-40(30)44-39-23-9-8-21-35(39)41(36)33-19-6-4-16-31(33)32-17-5-7-20-34(32)41;1-2-12-25(13-3-1)37-40-41-38(43-37)27-15-10-14-26(24-27)28-18-11-22-34-36(28)42-35-23-9-8-21-33(35)39(34)31-19-6-4-16-29(31)30-17-5-7-20-32(30)39;39-24-25-10-7-11-26(22-25)27-12-8-13-28(23-27)29-16-9-20-35-37(29)40-36-21-6-5-19-34(36)38(35)32-17-3-1-14-30(32)31-15-2-4-18-33(31)38;39-24-25-19-21-26(22-20-25)27-9-7-10-28(23-27)29-13-8-17-35-37(29)40-36-18-6-5-16-34(36)38(35)32-14-3-1-11-30(32)31-12-2-4-15-33(31)38;39-24-27-11-1-2-14-28(27)25-12-9-13-26(23-25)29-17-10-21-35-37(29)40-36-22-8-7-20-34(36)38(35)32-18-5-3-15-30(32)31-16-4-6-19-33(31)38/h1-26H;1-24H;3*1-23H |
| InChIKey | NHXPLDOMKRPHBP-UHFFFAOYSA-N |
| XLogP | 47.57 |
| TPSA | 182.22 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 13 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 207 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2644.13 |
| LogP ≤ 5 | 47.57 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 13 |