C224H144N8O4 — CID 158213395
4,6-diphenyl-2-[2-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine;4,6-diphenyl-2-[4-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine;4-phenyl-6-(3-phenylphenyl)-2-[3-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine;4-phenyl-6-(4-phenylphenyl)-2-[3-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine (PubChem CID 158213395) has the molecular formula C224H144N8O4 and a molecular weight of 3011.67 g/mol. Its IUPAC name is 4,6-diphenyl-2-[2-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine;4,6-diphenyl-2-[4-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine;4-phenyl-6-(3-phenylphenyl)-2-[3-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine;4-phenyl-6-(4-phenylphenyl)-2-[3-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine.
| Compound Name | 4,6-diphenyl-2-[2-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine;4,6-diphenyl-2-[4-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine;4-phenyl-6-(3-phenylphenyl)-2-[3-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine;4-phenyl-6-(4-phenylphenyl)-2-[3-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine |
|---|---|
| PubChem CID | 158213395 |
| Molecular Formula | C224H144N8O4 |
| Molecular Weight | 3011.67 g/mol |
| Exact Mass | 3009.13 |
| IUPAC Name | 4,6-diphenyl-2-[2-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine;4,6-diphenyl-2-[4-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine;4-phenyl-6-(3-phenylphenyl)-2-[3-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine;4-phenyl-6-(4-phenylphenyl)-2-[3-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine |
| SMILES | c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccccc4-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5ccccc54)cc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3-c3ccc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5ccccc54)cc3)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4cccc(-c5cccc(-c6cccc7c6Oc6ccccc6C76c7ccccc7-c7ccccc76)c5)c4)n3)cc2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4cccc(-c5cccc(-c6cccc7c6Oc6ccccc6C76c7ccccc7-c7ccccc76)c5)c4)n3)c2)cc1 |
| InChI | InChI=1S/2C59H38N2O.2C53H34N2O/c1-3-17-39(18-4-1)41-21-14-25-45(36-41)55-38-54(40-19-5-2-6-20-40)60-58(61-55)46-26-15-23-43(37-46)42-22-13-24-44(35-42)47-29-16-33-53-57(47)62-56-34-12-11-32-52(56)59(53)50-30-9-7-27-48(50)49-28-8-10-31-51(49)59;1-3-16-39(17-4-1)40-32-34-42(35-33-40)55-38-54(41-18-5-2-6-19-41)60-58(61-55)46-23-14-21-44(37-46)43-20-13-22-45(36-43)47-26-15-30-53-57(47)62-56-31-12-11-29-52(56)59(53)50-27-9-7-24-48(50)49-25-8-10-28-51(49)59;1-3-16-37(17-4-1)48-34-49(38-18-5-2-6-19-38)55-52(54-48)43-23-8-7-20-39(43)35-30-32-36(33-31-35)40-24-15-28-47-51(40)56-50-29-14-13-27-46(50)53(47)44-25-11-9-21-41(44)42-22-10-12-26-45(42)53;1-3-16-36(17-4-1)48-34-49(37-18-5-2-6-19-37)55-52(54-48)38-32-30-35(31-33-38)39-20-7-8-21-40(39)43-24-15-28-47-51(43)56-50-29-14-13-27-46(50)53(47)44-25-11-9-22-41(44)42-23-10-12-26-45(42)53/h2*1-38H;2*1-34H |
| InChIKey | GCIROIYNKOKSQG-UHFFFAOYSA-N |
| XLogP | 56.46 |
| TPSA | 140.04 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 236 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3011.67 |
| LogP ≤ 5 | 56.46 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |