C214H130N12O4 — CID 157175099
4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-carbonitrile;4-[4-[4-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]naphthalen-1-yl]benzonitrile;4-[4-[4-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]benzonitrile;4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]benzonitrile (PubChem CID 157175099) has the molecular formula C214H130N12O4 and a molecular weight of 2933.47 g/mol. Its IUPAC name is 4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-carbonitrile;4-[4-[4-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]naphthalen-1-yl]benzonitrile;4-[4-[4-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]benzonitrile;4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]benzonitrile.
| Compound Name | 4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-carbonitrile;4-[4-[4-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]naphthalen-1-yl]benzonitrile;4-[4-[4-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]benzonitrile;4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]benzonitrile |
|---|---|
| PubChem CID | 157175099 |
| Molecular Formula | C214H130N12O4 |
| Molecular Weight | 2933.47 g/mol |
| Exact Mass | 2931.03 |
| IUPAC Name | 4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-carbonitrile;4-[4-[4-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]naphthalen-1-yl]benzonitrile;4-[4-[4-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]benzonitrile;4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]benzonitrile |
| SMILES | N#Cc1ccc(-c2ccc(-c3cccc4c3Oc3ccccc3C43c4ccccc4-c4c(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)cccc43)c3ccccc23)cc1.N#Cc1ccc(-c2ccc(-c3cccc4c3Oc3ccccc3C43c4ccccc4-c4c(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)cccc43)cc2)cc1.N#Cc1ccc(-c2cccc3c2Oc2ccccc2C32c3ccccc3-c3c(-c4nc(-c5ccccc5)cc(-c5cccc(-c6ccccc6)c5)n4)cccc32)cc1.N#Cc1cccc2c1Oc1ccccc1C21c2ccccc2-c2c(-c3ccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc3)cccc21 |
| InChI | InChI=1S/C58H35N3O.2C54H33N3O.C48H29N3O/c59-36-37-29-31-38(32-30-37)41-33-34-44(43-20-8-7-19-42(41)43)45-22-13-27-51-56(45)62-54-28-12-11-25-49(54)58(51)48-24-10-9-21-46(48)55-47(23-14-26-50(55)58)57-60-52(39-15-3-1-4-16-39)35-53(61-57)40-17-5-2-6-18-40;55-34-35-28-30-37(31-29-35)41-21-12-26-47-52(41)58-50-27-10-9-24-45(50)54(47)44-23-8-7-20-42(44)51-43(22-13-25-46(51)54)53-56-48(38-16-5-2-6-17-38)33-49(57-53)40-19-11-18-39(32-40)36-14-3-1-4-15-36;55-34-35-25-27-36(28-26-35)37-29-31-38(32-30-37)41-18-11-23-47-52(41)58-50-24-10-9-21-45(50)54(47)44-20-8-7-17-42(44)51-43(19-12-22-46(51)54)53-56-48(39-13-3-1-4-14-39)33-49(57-53)40-15-5-2-6-16-40;49-30-35-17-11-23-41-46(35)52-44-24-10-9-21-39(44)48(41)38-20-8-7-18-37(38)45-36(19-12-22-40(45)48)31-25-27-34(28-26-31)47-50-42(32-13-3-1-4-14-32)29-43(51-47)33-15-5-2-6-16-33/h1-35H;2*1-33H;1-29H |
| InChIKey | ANXKXFLADBQMPF-UHFFFAOYSA-N |
| XLogP | 52.09 |
| TPSA | 235.20 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 230 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2933.47 |
| LogP ≤ 5 | 52.09 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |