C210H133N3O6 — CID 158045243
N-[4-(4-phenylphenyl)phenyl]-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine;N-(3-phenylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine;N-(4-phenylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine (PubChem CID 158045243) has the molecular formula C210H133N3O6 and a molecular weight of 2794.39 g/mol. Its IUPAC name is N-[4-(4-phenylphenyl)phenyl]-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine;N-(3-phenylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine;N-(4-phenylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine.
| Compound Name | N-[4-(4-phenylphenyl)phenyl]-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine;N-(3-phenylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine;N-(4-phenylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine |
|---|---|
| PubChem CID | 158045243 |
| Molecular Formula | C210H133N3O6 |
| Molecular Weight | 2794.39 g/mol |
| Exact Mass | 2792.02 |
| IUPAC Name | N-[4-(4-phenylphenyl)phenyl]-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine;N-(3-phenylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine;N-(4-phenylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine |
| SMILES | c1ccc(-c2ccc(-c3ccc(N(c4cccc(-c5ccc6c(c5)C5(c7ccccc7Oc7ccccc75)c5ccccc5-6)c4)c4cccc5c4-c4ccccc4C54c5ccccc5Oc5ccccc54)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3cccc(-c4ccc5c(c4)C4(c6ccccc6Oc6ccccc64)c4ccccc4-5)c3)c3cccc4c3-c3ccccc3C43c4ccccc4Oc4ccccc43)cc2)cc1.c1ccc(-c2cccc(N(c3cccc(-c4ccc5c(c4)C4(c6ccccc6Oc6ccccc64)c4ccccc4-5)c3)c3cccc4c3-c3ccccc3C43c4ccccc4Oc4ccccc43)c2)cc1 |
| InChI | InChI=1S/C74H47NO2.2C68H43NO2/c1-2-18-48(19-3-1)49-36-38-50(39-37-49)51-40-43-54(44-41-51)75(67-31-17-30-65-72(67)58-23-5-7-25-60(58)73(65)61-26-8-12-32-68(61)76-69-33-13-9-27-62(69)73)55-21-16-20-52(46-55)53-42-45-57-56-22-4-6-24-59(56)74(66(57)47-53)63-28-10-14-34-70(63)77-71-35-15-11-29-64(71)74;1-2-19-44(20-3-1)45-21-16-23-48(41-45)69(61-34-18-33-59-66(61)52-26-5-7-28-54(52)67(59)55-29-8-12-35-62(55)70-63-36-13-9-30-56(63)67)49-24-17-22-46(42-49)47-39-40-51-50-25-4-6-27-53(50)68(60(51)43-47)57-31-10-14-37-64(57)71-65-38-15-11-32-58(65)68;1-2-18-44(19-3-1)45-36-39-48(40-37-45)69(61-31-17-30-59-66(61)52-23-5-7-25-54(52)67(59)55-26-8-12-32-62(55)70-63-33-13-9-27-56(63)67)49-21-16-20-46(42-49)47-38-41-51-50-22-4-6-24-53(50)68(60(51)43-47)57-28-10-14-34-64(57)71-65-35-15-11-29-58(65)68/h1-47H;2*1-43H |
| InChIKey | FIVDNKOQGYHLIV-UHFFFAOYSA-N |
| XLogP | 53.95 |
| TPSA | 65.10 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 9 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 219 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2794.39 |
| LogP ≤ 5 | 53.95 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |