C198H125N3O6 — CID 159195923
N-[4-(3-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-4-amine;N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-4-amine;N-(3-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-4-amine (PubChem CID 159195923) has the molecular formula C198H125N3O6 and a molecular weight of 2642.19 g/mol. Its IUPAC name is N-[4-(3-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-4-amine;N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-4-amine;N-(3-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-4-amine.
| Compound Name | N-[4-(3-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-4-amine;N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-4-amine;N-(3-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-4-amine |
|---|---|
| PubChem CID | 159195923 |
| Molecular Formula | C198H125N3O6 |
| Molecular Weight | 2642.19 g/mol |
| Exact Mass | 2639.96 |
| IUPAC Name | N-[4-(3-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-4-amine;N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-4-amine;N-(3-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-4-amine |
| SMILES | c1ccc(-c2ccc(-c3ccc(N(c4cccc5c4-c4ccccc4C54c5ccccc5Oc5ccccc54)c4cccc5c4-c4ccccc4C54c5ccccc5Oc5ccccc54)cc3)cc2)cc1.c1ccc(-c2cccc(-c3ccc(N(c4cccc5c4-c4ccccc4C54c5ccccc5Oc5ccccc54)c4cccc5c4-c4ccccc4C54c5ccccc5Oc5ccccc54)cc3)c2)cc1.c1ccc(-c2cccc(N(c3cccc4c3-c3ccccc3C43c4ccccc4Oc4ccccc43)c3cccc4c3-c3ccccc3C43c4ccccc4Oc4ccccc43)c2)cc1 |
| InChI | InChI=1S/2C68H43NO2.C62H39NO2/c1-2-19-44(20-3-1)46-21-16-22-47(43-46)45-39-41-48(42-40-45)69(59-33-17-31-57-65(59)49-23-4-6-25-51(49)67(57)53-27-8-12-35-61(53)70-62-36-13-9-28-54(62)67)60-34-18-32-58-66(60)50-24-5-7-26-52(50)68(58)55-29-10-14-37-63(55)71-64-38-15-11-30-56(64)68;1-2-18-44(19-3-1)45-36-38-46(39-37-45)47-40-42-48(43-41-47)69(59-30-16-28-57-65(59)49-20-4-6-22-51(49)67(57)53-24-8-12-32-61(53)70-62-33-13-9-25-54(62)67)60-31-17-29-58-66(60)50-21-5-7-23-52(50)68(58)55-26-10-14-34-63(55)71-64-35-15-11-27-56(64)68;1-2-19-40(20-3-1)41-21-16-22-42(39-41)63(53-33-17-31-51-59(53)43-23-4-6-25-45(43)61(51)47-27-8-12-35-55(47)64-56-36-13-9-28-48(56)61)54-34-18-32-52-60(54)44-24-5-7-26-46(44)62(52)49-29-10-14-37-57(49)65-58-38-15-11-30-50(58)62/h2*1-43H;1-39H |
| InChIKey | KOQVUIHEINNAPO-UHFFFAOYSA-N |
| XLogP | 50.62 |
| TPSA | 65.10 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 9 |
| Rotatable Bonds | 14 |
| Heavy Atoms | 207 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2642.19 |
| LogP ≤ 5 | 50.62 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |