2-[5-(9,9-dimethylacridin-10-yl)pyrimidin-2-yl]-5-methoxyisoindole-1,3-dione;2-[5-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)pyrimidin-2-yl]-5-phenylisoindole-1,3-dione;5-methoxy-2-(5-phenothiazin-10-ylpyrimidin-2-yl)isoindole-1,3-dione;5-methoxy-2-(5-phenoxazin-10-ylpyrimidin-2-yl)isoindole-1,3-dione;2-(4-phenoxazin-10-ylpyrimidin-2-yl)-5-phenylisoindole-1,3-dione;2-(5-phenoxazin-10-ylpyrimidin-2-yl)-5-phenylisoindole-1,3-dione

C170H114N24O18SSi — CID 161201316

About 2-[5-(9,9-dimethylacridin-10-yl)pyrimidin-2-yl]-5-methoxyisoindole-1,3-dione;2-[5-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)pyrimidin-2-yl]-5-phenylisoindole-1,3-dione;5-methoxy-2-(5-phenothiazin-10-ylpyrimidin-2-yl)isoindole-1,3-dione;5-methoxy-2-(5-phenoxazin-10-ylpyrimidin-2-yl)isoindole-1,3-dione;2-(4-phenoxazin-10-ylpyrimidin-2-yl)-5-phenylisoindole-1,3-dione;2-(5-phenoxazin-10-ylpyrimidin-2-yl)-5-phenylisoindole-1,3-dione

2-[5-(9,9-dimethylacridin-10-yl)pyrimidin-2-yl]-5-methoxyisoindole-1,3-dione;2-[5-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)pyrimidin-2-yl]-5-phenylisoindole-1,3-dione;5-methoxy-2-(5-phenothiazin-10-ylpyrimidin-2-yl)isoindole-1,3-dione;5-methoxy-2-(5-phenoxazin-10-ylpyrimidin-2-yl)isoindole-1,3-dione;2-(4-phenoxazin-10-ylpyrimidin-2-yl)-5-phenylisoindole-1,3-dione;2-(5-phenoxazin-10-ylpyrimidin-2-yl)-5-phenylisoindole-1,3-dione (PubChem CID 161201316) has the molecular formula C170H114N24O18SSi and a molecular weight of 2841.08 g/mol. Its IUPAC name is 2-[5-(9,9-dimethylacridin-10-yl)pyrimidin-2-yl]-5-methoxyisoindole-1,3-dione;2-[5-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)pyrimidin-2-yl]-5-phenylisoindole-1,3-dione;5-methoxy-2-(5-phenothiazin-10-ylpyrimidin-2-yl)isoindole-1,3-dione;5-methoxy-2-(5-phenoxazin-10-ylpyrimidin-2-yl)isoindole-1,3-dione;2-(4-phenoxazin-10-ylpyrimidin-2-yl)-5-phenylisoindole-1,3-dione;2-(5-phenoxazin-10-ylpyrimidin-2-yl)-5-phenylisoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-[5-(9,9-dimethylacridin-10-yl)pyrimidin-2-yl]-5-methoxyisoindole-1,3-dione;2-[5-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)pyrimidin-2-yl]-5-phenylisoindole-1,3-dione;5-methoxy-2-(5-phenothiazin-10-ylpyrimidin-2-yl)isoindole-1,3-dione;5-methoxy-2-(5-phenoxazin-10-ylpyrimidin-2-yl)isoindole-1,3-dione;2-(4-phenoxazin-10-ylpyrimidin-2-yl)-5-phenylisoindole-1,3-dione;2-(5-phenoxazin-10-ylpyrimidin-2-yl)-5-phenylisoindole-1,3-dione
• PubChem CID: 161201316
• Molecular Formula: C170H114N24O18SSi
• Molecular Weight: 2841.08 g/mol
• Exact Mass: 2838.82
• IUPAC Name: 2-[5-(9,9-dimethylacridin-10-yl)pyrimidin-2-yl]-5-methoxyisoindole-1,3-dione;2-[5-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)pyrimidin-2-yl]-5-phenylisoindole-1,3-dione;5-methoxy-2-(5-phenothiazin-10-ylpyrimidin-2-yl)isoindole-1,3-dione;5-methoxy-2-(5-phenoxazin-10-ylpyrimidin-2-yl)isoindole-1,3-dione;2-(4-phenoxazin-10-ylpyrimidin-2-yl)-5-phenylisoindole-1,3-dione;2-(5-phenoxazin-10-ylpyrimidin-2-yl)-5-phenylisoindole-1,3-dione
• SMILES: COc1ccc2c(c1)C(=O)N(c1ncc(N3c4ccccc4C(C)(C)c4ccccc43)cn1)C2=O.COc1ccc2c(c1)C(=O)N(c1ncc(N3c4ccccc4Oc4ccccc43)cn1)C2=O.COc1ccc2c(c1)C(=O)N(c1ncc(N3c4ccccc4Sc4ccccc43)cn1)C2=O.C[Si]1(C)c2ccccc2N(c2cnc(N3C(=O)c4ccc(-c5ccccc5)cc4C3=O)nc2)c2ccccc21.O=C1c2ccc(-c3ccccc3)cc2C(=O)N1c1ncc(N2c3ccccc3Oc3ccccc32)cn1.O=C1c2ccc(-c3ccccc3)cc2C(=O)N1c1nccc(N2c3ccccc3Oc3ccccc32)n1
• InChI: InChI=1S/C32H24N4O2Si.2C30H18N4O3.C28H22N4O3.C25H16N4O4.C25H16N4O3S/c1-39(2)28-14-8-6-12-26(28)35(27-13-7-9-15-29(27)39)23-19-33-32(34-20-23)36-30(37)24-17-16-22(18-25(24)31(36)38)21-10-4-3-5-11-21;35-28-22-15-14-20(19-8-2-1-3-9-19)16-23(22)29(36)34(28)30-31-17-21(18-32-30)33-24-10-4-6-12-26(24)37-27-13-7-5-11-25(27)33;35-28-21-15-14-20(19-8-2-1-3-9-19)18-22(21)29(36)34(28)30-31-17-16-27(32-30)33-23-10-4-6-12-25(23)37-26-13-7-5-11-24(26)33;1-28(2)21-8-4-6-10-23(21)31(24-11-7-5-9-22(24)28)17-15-29-27(30-16-17)32-25(33)19-13-12-18(35-3)14-20(19)26(32)34;2*1-32-16-10-11-17-18(12-16)24(31)29(23(17)30)25-26-13-15(14-27-25)28-19-6-2-4-8-21(19)33-22-9-5-3-7-20(22)28/h3-20H,1-2H3;2*1-18H;4-16H,1-3H3;2*2-14H,1H3
• InChIKey: UUZZUOVRPINTRQ-UHFFFAOYSA-N
• XLogP: 34.07
• TPSA: 453.78 Ų
• H-Bond Acceptors: 37
• Rotatable Bonds: 18
• Heavy Atoms: 214
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2841.08
LogP ≤ 5	34.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[5-(9,9-dimethylacridin-10-yl)pyrimidin-2-yl]-5-methoxyisoindole-1,3-dione;2-[5-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)pyrimidin-2-yl]-5-phenylisoindole-1,3-dione;5-methoxy-2-(5-phenothiazin-10-ylpyrimidin-2-yl)isoindole-1,3-dione;5-methoxy-2-(5-phenoxazin-10-ylpyrimidin-2-yl)isoindole-1,3-dione;2-(4-phenoxazin-10-ylpyrimidin-2-yl)-5-phenylisoindole-1,3-dione;2-(5-phenoxazin-10-ylpyrimidin-2-yl)-5-phenylisoindole-1,3-dione?

The IUPAC name of 2-[5-(9,9-dimethylacridin-10-yl)pyrimidin-2-yl]-5-methoxyisoindole-1,3-dione;2-[5-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)pyrimidin-2-yl]-5-phenylisoindole-1,3-dione;5-methoxy-2-(5-phenothiazin-10-ylpyrimidin-2-yl)isoindole-1,3-dione;5-methoxy-2-(5-phenoxazin-10-ylpyrimidin-2-yl)isoindole-1,3-dione;2-(4-phenoxazin-10-ylpyrimidin-2-yl)-5-phenylisoindole-1,3-dione;2-(5-phenoxazin-10-ylpyrimidin-2-yl)-5-phenylisoindole-1,3-dione (CID 161201316) is 2-[5-(9,9-dimethylacridin-10-yl)pyrimidin-2-yl]-5-methoxyisoindole-1,3-dione;2-[5-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)pyrimidin-2-yl]-5-phenylisoindole-1,3-dione;5-methoxy-2-(5-phenothiazin-10-ylpyrimidin-2-yl)isoindole-1,3-dione;5-methoxy-2-(5-phenoxazin-10-ylpyrimidin-2-yl)isoindole-1,3-dione;2-(4-phenoxazin-10-ylpyrimidin-2-yl)-5-phenylisoindole-1,3-dione;2-(5-phenoxazin-10-ylpyrimidin-2-yl)-5-phenylisoindole-1,3-dione.

What is the SMILES notation for 2-[5-(9,9-dimethylacridin-10-yl)pyrimidin-2-yl]-5-methoxyisoindole-1,3-dione;2-[5-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)pyrimidin-2-yl]-5-phenylisoindole-1,3-dione;5-methoxy-2-(5-phenothiazin-10-ylpyrimidin-2-yl)isoindole-1,3-dione;5-methoxy-2-(5-phenoxazin-10-ylpyrimidin-2-yl)isoindole-1,3-dione;2-(4-phenoxazin-10-ylpyrimidin-2-yl)-5-phenylisoindole-1,3-dione;2-(5-phenoxazin-10-ylpyrimidin-2-yl)-5-phenylisoindole-1,3-dione?

The canonical SMILES for 2-[5-(9,9-dimethylacridin-10-yl)pyrimidin-2-yl]-5-methoxyisoindole-1,3-dione;2-[5-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)pyrimidin-2-yl]-5-phenylisoindole-1,3-dione;5-methoxy-2-(5-phenothiazin-10-ylpyrimidin-2-yl)isoindole-1,3-dione;5-methoxy-2-(5-phenoxazin-10-ylpyrimidin-2-yl)isoindole-1,3-dione;2-(4-phenoxazin-10-ylpyrimidin-2-yl)-5-phenylisoindole-1,3-dione;2-(5-phenoxazin-10-ylpyrimidin-2-yl)-5-phenylisoindole-1,3-dione is COc1ccc2c(c1)C(=O)N(c1ncc(N3c4ccccc4C(C)(C)c4ccccc43)cn1)C2=O.COc1ccc2c(c1)C(=O)N(c1ncc(N3c4ccccc4Oc4ccccc43)cn1)C2=O.COc1ccc2c(c1)C(=O)N(c1ncc(N3c4ccccc4Sc4ccccc43)cn1)C2=O.C[Si]1(C)c2ccccc2N(c2cnc(N3C(=O)c4ccc(-c5ccccc5)cc4C3=O)nc2)c2ccccc21.O=C1c2ccc(-c3ccccc3)cc2C(=O)N1c1ncc(N2c3ccccc3Oc3ccccc32)cn1.O=C1c2ccc(-c3ccccc3)cc2C(=O)N1c1nccc(N2c3ccccc3Oc3ccccc32)n1.

What is the InChIKey of 2-[5-(9,9-dimethylacridin-10-yl)pyrimidin-2-yl]-5-methoxyisoindole-1,3-dione;2-[5-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)pyrimidin-2-yl]-5-phenylisoindole-1,3-dione;5-methoxy-2-(5-phenothiazin-10-ylpyrimidin-2-yl)isoindole-1,3-dione;5-methoxy-2-(5-phenoxazin-10-ylpyrimidin-2-yl)isoindole-1,3-dione;2-(4-phenoxazin-10-ylpyrimidin-2-yl)-5-phenylisoindole-1,3-dione;2-(5-phenoxazin-10-ylpyrimidin-2-yl)-5-phenylisoindole-1,3-dione?

The InChIKey is UUZZUOVRPINTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24N4O2Si.2C30H18N4O3.C28H22N4O3.C25H16N4O4.C25H16N4O3S/c1-39(2)28-14-8-6-12-26(28)35(27-13-7-9-15-29(27)39)23-19-33-32(34-20-23)36-30(37)24-17-16-22(18-25(24)31(36)38)21-10-4-3-5-11-21;35-28-22-15-14-20(19-8-2-1-3-9-19)16-23(22)29(36)34(28)30-31-17-21(18-32-30)33-24-10-4-6-12-26(24)37-27-13-7-5-11-25(27)33;35-28-21-15-14-20(19-8-2-1-3-9-19)18-22(21)29(36)34(28)30-31-17-16-27(32-30)33-23-10-4-6-12-25(23)37-26-13-7-5-11-24(26)33;1-28(2)21-8-4-6-10-23(21)31(24-11-7-5-9-22(24)28)17-15-29-27(30-16-17)32-25(33)19-13-12-18(35-3)14-20(19)26(32)34;2*1-32-16-10-11-17-18(12-16)24(31)29(23(17)30)25-26-13-15(14-27-25)28-19-6-2-4-8-21(19)33-22-9-5-3-7-20(22)28/h3-20H,1-2H3;2*1-18H;4-16H,1-3H3;2*2-14H,1H3.

What are the key properties of 2-[5-(9,9-dimethylacridin-10-yl)pyrimidin-2-yl]-5-methoxyisoindole-1,3-dione;2-[5-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)pyrimidin-2-yl]-5-phenylisoindole-1,3-dione;5-methoxy-2-(5-phenothiazin-10-ylpyrimidin-2-yl)isoindole-1,3-dione;5-methoxy-2-(5-phenoxazin-10-ylpyrimidin-2-yl)isoindole-1,3-dione;2-(4-phenoxazin-10-ylpyrimidin-2-yl)-5-phenylisoindole-1,3-dione;2-(5-phenoxazin-10-ylpyrimidin-2-yl)-5-phenylisoindole-1,3-dione?

2-[5-(9,9-dimethylacridin-10-yl)pyrimidin-2-yl]-5-methoxyisoindole-1,3-dione;2-[5-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)pyrimidin-2-yl]-5-phenylisoindole-1,3-dione;5-methoxy-2-(5-phenothiazin-10-ylpyrimidin-2-yl)isoindole-1,3-dione;5-methoxy-2-(5-phenoxazin-10-ylpyrimidin-2-yl)isoindole-1,3-dione;2-(4-phenoxazin-10-ylpyrimidin-2-yl)-5-phenylisoindole-1,3-dione;2-(5-phenoxazin-10-ylpyrimidin-2-yl)-5-phenylisoindole-1,3-dione has a molecular weight of 2841.08 g/mol, XLogP of 34.07, 18 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(9,9-dimethylacridin-10-yl)pyrimidin-2-yl]-5-methoxyisoindole-1,3-dione;2-[5-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)pyrimidin-2-yl]-5-phenylisoindole-1,3-dione;5-methoxy-2-(5-phenothiazin-10-ylpyrimidin-2-yl)isoindole-1,3-dione;5-methoxy-2-(5-phenoxazin-10-ylpyrimidin-2-yl)isoindole-1,3-dione;2-(4-phenoxazin-10-ylpyrimidin-2-yl)-5-phenylisoindole-1,3-dione;2-(5-phenoxazin-10-ylpyrimidin-2-yl)-5-phenylisoindole-1,3-dione is sourced from PubChem (CID 161201316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).