C268H163N15O5 — CID 160869138
2-[7-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]benzonitrile;2-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]benzonitrile;2-[4-[7-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]benzonitrile;2-[7-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-2-yl]benzonitrile;2-[7-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-2-yl]benzonitrile (PubChem CID 160869138) has the molecular formula C268H163N15O5 and a molecular weight of 3673.35 g/mol. Its IUPAC name is 2-[7-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]benzonitrile;2-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]benzonitrile;2-[4-[7-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]benzonitrile;2-[7-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-2-yl]benzonitrile;2-[7-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-2-yl]benzonitrile.
| Compound Name | 2-[7-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]benzonitrile;2-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]benzonitrile;2-[4-[7-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]benzonitrile;2-[7-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-2-yl]benzonitrile;2-[7-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-2-yl]benzonitrile |
|---|---|
| PubChem CID | 160869138 |
| Molecular Formula | C268H163N15O5 |
| Molecular Weight | 3673.35 g/mol |
| Exact Mass | 3670.30 |
| IUPAC Name | 2-[7-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]benzonitrile;2-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]benzonitrile;2-[4-[7-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]benzonitrile;2-[7-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-2-yl]benzonitrile;2-[7-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-2-yl]benzonitrile |
| SMILES | N#Cc1ccccc1-c1ccc(-c2ccc3c(c2)C2(c4ccccc4Oc4ccccc42)c2cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)ccc2-3)cc1.N#Cc1ccccc1-c1ccc2c(c1)C1(c3ccccc3Oc3ccccc31)c1cc(-c3cc(-c4cccc(-c5ccccc5)c4)nc(-c4ccccc4)n3)ccc1-2.N#Cc1ccccc1-c1ccc2c(c1)C1(c3ccccc3Oc3ccccc31)c1cc(-c3cc(-c4cccc5ccccc45)nc(-c4ccccc4)n3)ccc1-2.N#Cc1ccccc1-c1ccc2c(c1)C1(c3ccccc3Oc3ccccc31)c1cc(-c3ccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc3)ccc1-2.N#Cc1ccccc1-c1ccc2c(c1)C1(c3ccccc3Oc3ccccc31)c1cc(-c3cccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3)ccc1-2 |
| InChI | InChI=1S/4C54H33N3O.C52H31N3O/c55-34-41-18-7-8-21-42(41)39-27-29-44-43-28-26-38(31-47(43)54(48(44)32-39)45-22-9-11-24-51(45)58-52-25-12-10-23-46(52)54)37-19-13-20-40(30-37)50-33-49(35-14-3-1-4-15-35)56-53(57-50)36-16-5-2-6-17-36;55-34-41-18-7-8-21-42(41)38-26-28-43-44-29-27-40(32-48(44)54(47(43)31-38)45-22-9-11-24-51(45)58-52-25-12-10-23-46(52)54)50-33-49(56-53(57-50)36-16-5-2-6-17-36)39-20-13-19-37(30-39)35-14-3-1-4-15-35;55-34-41-17-7-8-18-42(41)36-25-23-35(24-26-36)39-27-29-43-44-30-28-40(50-33-49(37-13-3-1-4-14-37)56-53(57-50)38-15-5-2-6-16-38)32-48(44)54(47(43)31-39)45-19-9-11-21-51(45)58-52-22-12-10-20-46(52)54;55-34-41-17-7-8-18-42(41)40-28-30-44-43-29-27-39(31-47(43)54(48(44)32-40)45-19-9-11-21-51(45)58-52-22-12-10-20-46(52)54)35-23-25-38(26-24-35)53-56-49(36-13-3-1-4-14-36)33-50(57-53)37-15-5-2-6-16-37;53-32-37-16-5-6-18-38(37)35-25-27-40-41-28-26-36(30-46(41)52(45(40)29-35)43-21-8-10-23-49(43)56-50-24-11-9-22-44(50)52)47-31-48(55-51(54-47)34-14-2-1-3-15-34)42-20-12-17-33-13-4-7-19-39(33)42/h4*1-33H;1-31H |
| InChIKey | SLNKBLZJZZHJRN-UHFFFAOYSA-N |
| XLogP | 65.25 |
| TPSA | 294.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 288 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3673.35 |
| LogP ≤ 5 | 65.25 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 20 |