C240H153N3O6 — CID 157110202
N-[4-(3-phenylphenyl)phenyl]-2-spiro[fluorene-9,9'-xanthene]-3-yl-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline;N-[4-(4-phenylphenyl)phenyl]-2-spiro[fluorene-9,9'-xanthene]-3-yl-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline;2-(4-phenylphenyl)-N-(2-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline (PubChem CID 157110202) has the molecular formula C240H153N3O6 and a molecular weight of 3174.88 g/mol. Its IUPAC name is N-[4-(3-phenylphenyl)phenyl]-2-spiro[fluorene-9,9'-xanthene]-3-yl-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline;N-[4-(4-phenylphenyl)phenyl]-2-spiro[fluorene-9,9'-xanthene]-3-yl-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline;2-(4-phenylphenyl)-N-(2-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline.
| Compound Name | N-[4-(3-phenylphenyl)phenyl]-2-spiro[fluorene-9,9'-xanthene]-3-yl-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline;N-[4-(4-phenylphenyl)phenyl]-2-spiro[fluorene-9,9'-xanthene]-3-yl-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline;2-(4-phenylphenyl)-N-(2-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline |
|---|---|
| PubChem CID | 157110202 |
| Molecular Formula | C240H153N3O6 |
| Molecular Weight | 3174.88 g/mol |
| Exact Mass | 3172.18 |
| IUPAC Name | N-[4-(3-phenylphenyl)phenyl]-2-spiro[fluorene-9,9'-xanthene]-3-yl-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline;N-[4-(4-phenylphenyl)phenyl]-2-spiro[fluorene-9,9'-xanthene]-3-yl-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline;2-(4-phenylphenyl)-N-(2-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline |
| SMILES | c1ccc(-c2ccc(-c3ccc(N(c4cccc(-c5ccc6c(c5)C5(c7ccccc7Oc7ccccc75)c5ccccc5-6)c4)c4ccccc4-c4ccc5c(c4)-c4ccccc4C54c5ccccc5Oc5ccccc54)cc3)cc2)cc1.c1ccc(-c2ccc(-c3ccccc3N(c3cccc(-c4ccc5c(c4)C4(c6ccccc6Oc6ccccc64)c4ccccc4-5)c3)c3ccccc3-c3ccc4c(c3)-c3ccccc3C43c4ccccc4Oc4ccccc43)cc2)cc1.c1ccc(-c2cccc(-c3ccc(N(c4cccc(-c5ccc6c(c5)C5(c7ccccc7Oc7ccccc75)c5ccccc5-6)c4)c4ccccc4-c4ccc5c(c4)-c4ccccc4C54c5ccccc5Oc5ccccc54)cc3)c2)cc1 |
| InChI | InChI=1S/3C80H51NO2/c1-2-21-52(22-3-1)53-41-43-54(44-42-53)59-25-6-14-35-73(59)81(58-24-20-23-55(49-58)56-45-47-63-61-27-4-8-29-65(61)80(72(63)51-56)70-33-12-18-39-77(70)83-78-40-19-13-34-71(78)80)74-36-15-7-26-60(74)57-46-48-67-64(50-57)62-28-5-9-30-66(62)79(67)68-31-10-16-37-75(68)82-76-38-17-11-32-69(76)79;1-2-20-52(21-3-1)54-22-18-23-55(48-54)53-40-44-59(45-41-53)81(60-25-19-24-56(49-60)57-42-46-64-62-27-4-7-29-66(62)80(73(64)51-57)71-33-11-16-38-77(71)83-78-39-17-12-34-72(78)80)74-35-13-6-26-61(74)58-43-47-68-65(50-58)63-28-5-8-30-67(63)79(68)69-31-9-14-36-75(69)82-76-37-15-10-32-70(76)79;1-2-19-52(20-3-1)53-37-39-54(40-38-53)55-41-45-59(46-42-55)81(60-22-18-21-56(49-60)57-43-47-64-62-24-4-7-26-66(62)80(73(64)51-57)71-30-11-16-35-77(71)83-78-36-17-12-31-72(78)80)74-32-13-6-23-61(74)58-44-48-68-65(50-58)63-25-5-8-27-67(63)79(68)69-28-9-14-33-75(69)82-76-34-15-10-29-70(76)79/h3*1-51H |
| InChIKey | AGTKOAWCFWTKQK-UHFFFAOYSA-N |
| XLogP | 62.29 |
| TPSA | 65.10 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 9 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 249 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3174.88 |
| LogP ≤ 5 | 62.29 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |