C192H117N3O7 — CID 160969279
N-(4-dibenzofuran-3-ylphenyl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine;N-phenyl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine;N-spiro[fluorene-9,9'-xanthene]-4-yl-N-triphenylen-2-ylspiro[fluorene-9,9'-xanthene]-2-amine (PubChem CID 160969279) has the molecular formula C192H117N3O7 and a molecular weight of 2578.06 g/mol. Its IUPAC name is N-(4-dibenzofuran-3-ylphenyl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine;N-phenyl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine;N-spiro[fluorene-9,9'-xanthene]-4-yl-N-triphenylen-2-ylspiro[fluorene-9,9'-xanthene]-2-amine.
| Compound Name | N-(4-dibenzofuran-3-ylphenyl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine;N-phenyl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine;N-spiro[fluorene-9,9'-xanthene]-4-yl-N-triphenylen-2-ylspiro[fluorene-9,9'-xanthene]-2-amine |
|---|---|
| PubChem CID | 160969279 |
| Molecular Formula | C192H117N3O7 |
| Molecular Weight | 2578.06 g/mol |
| Exact Mass | 2575.89 |
| IUPAC Name | N-(4-dibenzofuran-3-ylphenyl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine;N-phenyl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine;N-spiro[fluorene-9,9'-xanthene]-4-yl-N-triphenylen-2-ylspiro[fluorene-9,9'-xanthene]-2-amine |
| SMILES | c1ccc(N(c2ccc3c(c2)C2(c4ccccc4Oc4ccccc42)c2ccccc2-3)c2cccc3c2-c2ccccc2C32c3ccccc3Oc3ccccc32)cc1.c1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c3cccc4c3-c3ccccc3C43c4ccccc4Oc4ccccc43)cc21.c1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2ccc(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3cccc4c3-c3ccccc3C43c4ccccc4Oc4ccccc43)cc21 |
| InChI | InChI=1S/C68H41NO3.C68H41NO2.C56H35NO2/c1-4-19-51-46(16-1)47-39-37-45(41-58(47)68(51)55-23-8-13-30-63(55)72-64-31-14-9-24-56(64)68)69(44-35-32-42(33-36-44)43-34-38-49-48-17-3-10-27-60(48)70-65(49)40-43)59-26-15-25-57-66(59)50-18-2-5-20-52(50)67(57)53-21-6-11-28-61(53)71-62-29-12-7-22-54(62)67;1-2-20-46-44(18-1)45-19-3-4-21-47(45)52-40-42(36-38-48(46)52)69(43-37-39-50-49-22-5-7-24-53(49)68(60(50)41-43)57-28-11-15-34-64(57)71-65-35-16-12-29-58(65)68)61-31-17-30-59-66(61)51-23-6-8-25-54(51)67(59)55-26-9-13-32-62(55)70-63-33-14-10-27-56(63)67;1-2-17-36(18-3-1)57(37-33-34-39-38-19-4-6-21-41(38)56(48(39)35-37)45-25-10-14-31-52(45)59-53-32-15-11-26-46(53)56)49-28-16-27-47-54(49)40-20-5-7-22-42(40)55(47)43-23-8-12-29-50(43)58-51-30-13-9-24-44(51)55/h1-41H;1-41H;1-35H |
| InChIKey | SYAWHRCORAGWAV-UHFFFAOYSA-N |
| XLogP | 49.31 |
| TPSA | 78.24 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Heavy Atoms | 202 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2578.06 |
| LogP ≤ 5 | 49.31 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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