C204H129N3O6 — CID 159764707
N-(2-phenylphenyl)-N-(2-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine;N-(3-phenylphenyl)-N-(2-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine;N-(4-phenylphenyl)-N-(2-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine (PubChem CID 159764707) has the molecular formula C204H129N3O6 and a molecular weight of 2718.29 g/mol. Its IUPAC name is N-(2-phenylphenyl)-N-(2-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine;N-(3-phenylphenyl)-N-(2-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine;N-(4-phenylphenyl)-N-(2-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine.
| Compound Name | N-(2-phenylphenyl)-N-(2-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine;N-(3-phenylphenyl)-N-(2-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine;N-(4-phenylphenyl)-N-(2-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine |
|---|---|
| PubChem CID | 159764707 |
| Molecular Formula | C204H129N3O6 |
| Molecular Weight | 2718.29 g/mol |
| Exact Mass | 2715.99 |
| IUPAC Name | N-(2-phenylphenyl)-N-(2-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine;N-(3-phenylphenyl)-N-(2-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine;N-(4-phenylphenyl)-N-(2-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine |
| SMILES | c1ccc(-c2ccc(N(c3ccccc3-c3cccc4c3-c3ccccc3C43c4ccccc4Oc4ccccc43)c3cccc4c3-c3ccccc3C43c4ccccc4Oc4ccccc43)cc2)cc1.c1ccc(-c2cccc(N(c3ccccc3-c3cccc4c3-c3ccccc3C43c4ccccc4Oc4ccccc43)c3cccc4c3-c3ccccc3C43c4ccccc4Oc4ccccc43)c2)cc1.c1ccc(-c2ccccc2N(c2ccccc2-c2cccc3c2-c2ccccc2C32c3ccccc3Oc3ccccc32)c2cccc3c2-c2ccccc2C32c3ccccc3Oc3ccccc32)cc1 |
| InChI | InChI=1S/3C68H43NO2/c1-2-22-44(23-3-1)45-24-6-14-37-58(45)69(60-39-21-36-57-66(60)49-27-5-9-30-51(49)68(57)54-33-12-18-42-63(54)71-64-43-19-13-34-55(64)68)59-38-15-7-25-46(59)47-28-20-35-56-65(47)48-26-4-8-29-50(48)67(56)52-31-10-16-40-61(52)70-62-41-17-11-32-53(62)67;1-2-21-44(22-3-1)45-23-18-24-46(43-45)69(60-38-20-36-58-66(60)50-27-5-8-30-52(50)68(58)55-33-11-16-41-63(55)71-64-42-17-12-34-56(64)68)59-37-13-6-25-47(59)48-28-19-35-57-65(48)49-26-4-7-29-51(49)67(57)53-31-9-14-39-61(53)70-62-40-15-10-32-54(62)67;1-2-20-44(21-3-1)45-40-42-46(43-41-45)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)59-34-13-6-22-47(59)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/h3*1-43H |
| InChIKey | NFISGRYZUSFBSR-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 |