C204H129N3O6 — CID 160562558
N-(2-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine;N-(3-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine;N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine (PubChem CID 160562558) has the molecular formula C204H129N3O6 and a molecular weight of 2718.29 g/mol. Its IUPAC name is N-(2-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine;N-(3-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine;N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine.
| Compound Name | N-(2-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine;N-(3-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine;N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine |
|---|---|
| PubChem CID | 160562558 |
| Molecular Formula | C204H129N3O6 |
| Molecular Weight | 2718.29 g/mol |
| Exact Mass | 2715.99 |
| IUPAC Name | N-(2-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine;N-(3-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine;N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine |
| SMILES | c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4-c4ccccc4C54c5ccccc5Oc5ccccc54)cc3)c3cccc4c3-c3ccccc3C43c4ccccc4Oc4ccccc43)cc2)cc1.c1ccc(-c2cccc(N(c3ccc(-c4cccc5c4-c4ccccc4C54c5ccccc5Oc5ccccc54)cc3)c3cccc4c3-c3ccccc3C43c4ccccc4Oc4ccccc43)c2)cc1.c1ccc(-c2ccccc2N(c2ccc(-c3cccc4c3-c3ccccc3C43c4ccccc4Oc4ccccc43)cc2)c2cccc3c2-c2ccccc2C32c3ccccc3Oc3ccccc32)cc1 |
| InChI | InChI=1S/3C68H43NO2/c1-2-20-44(21-3-1)47-22-6-13-34-59(47)69(60-35-19-33-58-66(60)50-24-5-8-27-52(50)68(58)55-30-11-16-38-63(55)71-64-39-17-12-31-56(64)68)46-42-40-45(41-43-46)48-25-18-32-57-65(48)49-23-4-7-26-51(49)67(57)53-28-9-14-36-61(53)70-62-37-15-10-29-54(62)67;1-2-19-44(20-3-1)46-21-16-22-48(43-46)69(60-34-18-33-59-66(60)51-24-5-7-27-53(51)68(59)56-30-10-14-37-63(56)71-64-38-15-11-31-57(64)68)47-41-39-45(40-42-47)49-25-17-32-58-65(49)50-23-4-6-26-52(50)67(58)54-28-8-12-35-61(54)70-62-36-13-9-29-55(62)67;1-2-18-44(19-3-1)45-36-40-47(41-37-45)69(60-31-17-30-59-66(60)51-21-5-7-24-53(51)68(59)56-27-10-14-34-63(56)71-64-35-15-11-28-57(64)68)48-42-38-46(39-43-48)49-22-16-29-58-65(49)50-20-4-6-23-52(50)67(58)54-25-8-12-32-61(54)70-62-33-13-9-26-55(62)67/h3*1-43H |
| InChIKey | QZMWITQUGDYSHM-UHFFFAOYSA-N |
| XLogP | 52.28 |
| TPSA | 65.10 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 9 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 213 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2718.29 |
| LogP ≤ 5 | 52.28 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |