C280H178N12O6 — CID 159580359
4,6-bis(4-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-3'-ylpyrimidine;4,6-diphenyl-2-spiro[fluorene-9,9'-xanthene]-3'-ylpyrimidine;4-naphthalen-2-yl-6-phenyl-2-spiro[fluorene-9,9'-xanthene]-3'-ylpyrimidine;4-phenyl-6-(2-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-3'-ylpyrimidine;4-phenyl-6-(3-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-3'-ylpyrimidine;4-phenyl-6-(4-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-3'-ylpyrimidine (PubChem CID 159580359) has the molecular formula C280H178N12O6 and a molecular weight of 3806.58 g/mol. Its IUPAC name is 4,6-bis(4-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-3'-ylpyrimidine;4,6-diphenyl-2-spiro[fluorene-9,9'-xanthene]-3'-ylpyrimidine;4-naphthalen-2-yl-6-phenyl-2-spiro[fluorene-9,9'-xanthene]-3'-ylpyrimidine;4-phenyl-6-(2-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-3'-ylpyrimidine;4-phenyl-6-(3-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-3'-ylpyrimidine;4-phenyl-6-(4-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-3'-ylpyrimidine.
| Compound Name | 4,6-bis(4-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-3'-ylpyrimidine;4,6-diphenyl-2-spiro[fluorene-9,9'-xanthene]-3'-ylpyrimidine;4-naphthalen-2-yl-6-phenyl-2-spiro[fluorene-9,9'-xanthene]-3'-ylpyrimidine;4-phenyl-6-(2-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-3'-ylpyrimidine;4-phenyl-6-(3-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-3'-ylpyrimidine;4-phenyl-6-(4-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-3'-ylpyrimidine |
|---|---|
| PubChem CID | 159580359 |
| Molecular Formula | C280H178N12O6 |
| Molecular Weight | 3806.58 g/mol |
| Exact Mass | 3803.40 |
| IUPAC Name | 4,6-bis(4-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-3'-ylpyrimidine;4,6-diphenyl-2-spiro[fluorene-9,9'-xanthene]-3'-ylpyrimidine;4-naphthalen-2-yl-6-phenyl-2-spiro[fluorene-9,9'-xanthene]-3'-ylpyrimidine;4-phenyl-6-(2-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-3'-ylpyrimidine;4-phenyl-6-(3-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-3'-ylpyrimidine;4-phenyl-6-(4-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-3'-ylpyrimidine |
| SMILES | c1ccc(-c2cc(-c3ccc4ccccc4c3)nc(-c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-c4ccccc43)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-c4ccccc43)n2)cc1.c1ccc(-c2cc(-c3ccccc3-c3ccccc3)nc(-c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-c4ccccc43)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc5c(c4)Oc4ccccc4C54c5ccccc5-c5ccccc54)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc5c(c4)Oc4ccccc4C54c5ccccc5-c5ccccc54)n3)cc2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4ccc5c(c4)Oc4ccccc4C54c5ccccc5-c5ccccc54)n3)c2)cc1 |
| InChI | InChI=1S/C53H34N2O.3C47H30N2O.C45H28N2O.C41H26N2O/c1-3-13-35(14-4-1)37-23-27-39(28-24-37)48-34-49(40-29-25-38(26-30-40)36-15-5-2-6-16-36)55-52(54-48)41-31-32-47-51(33-41)56-50-22-12-11-21-46(50)53(47)44-19-9-7-17-42(44)43-18-8-10-20-45(43)53;1-3-14-31(15-4-1)33-18-13-19-34(28-33)43-30-42(32-16-5-2-6-17-32)48-46(49-43)35-26-27-41-45(29-35)50-44-25-12-11-24-40(44)47(41)38-22-9-7-20-36(38)37-21-8-10-23-39(37)47;1-3-13-31(14-4-1)32-23-25-34(26-24-32)43-30-42(33-15-5-2-6-16-33)48-46(49-43)35-27-28-41-45(29-35)50-44-22-12-11-21-40(44)47(41)38-19-9-7-17-36(38)37-18-8-10-20-39(37)47;1-3-15-31(16-4-1)34-19-7-8-22-37(34)43-30-42(32-17-5-2-6-18-32)48-46(49-43)33-27-28-41-45(29-33)50-44-26-14-13-25-40(44)47(41)38-23-11-9-20-35(38)36-21-10-12-24-39(36)47;1-2-13-30(14-3-1)40-28-41(32-23-22-29-12-4-5-15-31(29)26-32)47-44(46-40)33-24-25-39-43(27-33)48-42-21-11-10-20-38(42)45(39)36-18-8-6-16-34(36)35-17-7-9-19-37(35)45;1-3-13-27(14-4-1)36-26-37(28-15-5-2-6-16-28)43-40(42-36)29-23-24-35-39(25-29)44-38-22-12-11-21-34(38)41(35)32-19-9-7-17-30(32)31-18-8-10-20-33(31)41/h1-34H;3*1-30H;1-28H;1-26H |
| InChIKey | MIYAWZQYURIEJP-UHFFFAOYSA-N |
| XLogP | 69.17 |
| TPSA | 210.06 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 298 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3806.58 |
| LogP ≤ 5 | 69.17 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |