C169H105N7O5 — CID 162244797
4-(4-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)quinazoline;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 (PubChem CID 162244797) has the molecular formula C169H105N7O5 and a molecular weight of 2313.74 g/mol. Its IUPAC name is 4-(4-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)quinazoline;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.
| Compound Name | 4-(4-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)quinazoline;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 |
|---|---|
| PubChem CID | 162244797 |
| Molecular Formula | C169H105N7O5 |
| Molecular Weight | 2313.74 g/mol |
| Exact Mass | 2311.82 |
| IUPAC Name | 4-(4-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)quinazoline;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 |
| SMILES | N#Cc1ccccc1-c1cccc(-c2cccc3c2Oc2ccccc2C32c3ccccc3-c3ccccc32)c1.c1ccc(-c2ccc(-c3cccc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5ccccc54)c3)nn2)cc1.c1ccc(-c2ccc(-c3nc(-c4cccc(-c5cccc6c5Oc5ccccc5C65c6ccccc6-c6ccccc65)c4)nc4ccccc34)cc2)cc1.c1ccc(-c2nnc(-c3cccc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5ccccc54)c3)o2)cc1 |
| InChI | InChI=1S/C51H32N2O.C41H26N2O.C39H24N2O2.C38H23NO/c1-2-14-33(15-3-1)34-28-30-35(31-29-34)48-41-20-6-10-26-46(41)52-50(53-48)37-17-12-16-36(32-37)38-21-13-25-45-49(38)54-47-27-11-9-24-44(47)51(45)42-22-7-4-18-39(42)40-19-5-8-23-43(40)51;1-2-12-27(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;39-24-27-11-1-2-14-28(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/h1-32H;1-26H;1-24H;1-23H |
| InChIKey | ZXEMYXJBUDMJOV-UHFFFAOYSA-N |
| XLogP | 41.61 |
| TPSA | 151.19 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 181 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2313.74 |
| LogP ≤ 5 | 41.61 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |