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

C131H88N14O11S2Si — CID 158097074

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

5-(9,9-dimethylacridin-10-yl)-2-phenylisoindole-1,3-dione;5-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-phenylisoindole-1,3-dione;5-phenothiazin-10-yl-2-phenylisoindole-1,3-dione;5-phenothiazin-10-yl-2-pyrimidin-5-ylisoindole-1,3-dione;5-phenoxazin-10-yl-2-pyrimidin-5-ylisoindole-1,3-dione (PubChem CID 158097074) has the molecular formula C131H88N14O11S2Si and a molecular weight of 2126.45 g/mol. Its IUPAC name is 5-(9,9-dimethylacridin-10-yl)-2-phenylisoindole-1,3-dione;5-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-phenylisoindole-1,3-dione;5-phenothiazin-10-yl-2-phenylisoindole-1,3-dione;5-phenothiazin-10-yl-2-pyrimidin-5-ylisoindole-1,3-dione;5-phenoxazin-10-yl-2-pyrimidin-5-ylisoindole-1,3-dione.

Molecular Properties

• Compound Name: 5-(9,9-dimethylacridin-10-yl)-2-phenylisoindole-1,3-dione;5-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-phenylisoindole-1,3-dione;5-phenothiazin-10-yl-2-phenylisoindole-1,3-dione;5-phenothiazin-10-yl-2-pyrimidin-5-ylisoindole-1,3-dione;5-phenoxazin-10-yl-2-pyrimidin-5-ylisoindole-1,3-dione
• PubChem CID: 158097074
• Molecular Formula: C131H88N14O11S2Si
• Molecular Weight: 2126.45 g/mol
• Exact Mass: 2124.60
• IUPAC Name: 5-(9,9-dimethylacridin-10-yl)-2-phenylisoindole-1,3-dione;5-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-phenylisoindole-1,3-dione;5-phenothiazin-10-yl-2-phenylisoindole-1,3-dione;5-phenothiazin-10-yl-2-pyrimidin-5-ylisoindole-1,3-dione;5-phenoxazin-10-yl-2-pyrimidin-5-ylisoindole-1,3-dione
• SMILES: CC1(C)c2ccccc2N(c2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c2ccccc21.C[Si]1(C)c2ccccc2N(c2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c2ccccc21.O=C1c2ccc(N3c4ccccc4Oc4ccccc43)cc2C(=O)N1c1cncnc1.O=C1c2ccc(N3c4ccccc4Sc4ccccc43)cc2C(=O)N1c1ccccc1.O=C1c2ccc(N3c4ccccc4Sc4ccccc43)cc2C(=O)N1c1cncnc1
• InChI: InChI=1S/C29H22N2O2.C28H22N2O2Si.C26H16N2O2S.C24H14N4O3.C24H14N4O2S/c1-29(2)23-12-6-8-14-25(23)30(26-15-9-7-13-24(26)29)20-16-17-21-22(18-20)28(33)31(27(21)32)19-10-4-3-5-11-19;1-33(2)25-14-8-6-12-23(25)29(24-13-7-9-15-26(24)33)20-16-17-21-22(18-20)28(32)30(27(21)31)19-10-4-3-5-11-19;29-25-19-15-14-18(16-20(19)26(30)28(25)17-8-2-1-3-9-17)27-21-10-4-6-12-23(21)31-24-13-7-5-11-22(24)27;2*29-23-17-10-9-15(11-18(17)24(30)28(23)16-12-25-14-26-13-16)27-19-5-1-3-7-21(19)31-22-8-4-2-6-20(22)27/h2*3-18H,1-2H3;1-16H;2*1-14H
• InChIKey: FOULIGHVFUWHBG-UHFFFAOYSA-N
• XLogP: 28.18
• TPSA: 263.89 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 10
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2126.45
LogP ≤ 5	28.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

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

The IUPAC name of 5-(9,9-dimethylacridin-10-yl)-2-phenylisoindole-1,3-dione;5-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-phenylisoindole-1,3-dione;5-phenothiazin-10-yl-2-phenylisoindole-1,3-dione;5-phenothiazin-10-yl-2-pyrimidin-5-ylisoindole-1,3-dione;5-phenoxazin-10-yl-2-pyrimidin-5-ylisoindole-1,3-dione (CID 158097074) is 5-(9,9-dimethylacridin-10-yl)-2-phenylisoindole-1,3-dione;5-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-phenylisoindole-1,3-dione;5-phenothiazin-10-yl-2-phenylisoindole-1,3-dione;5-phenothiazin-10-yl-2-pyrimidin-5-ylisoindole-1,3-dione;5-phenoxazin-10-yl-2-pyrimidin-5-ylisoindole-1,3-dione.

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

The canonical SMILES for 5-(9,9-dimethylacridin-10-yl)-2-phenylisoindole-1,3-dione;5-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-phenylisoindole-1,3-dione;5-phenothiazin-10-yl-2-phenylisoindole-1,3-dione;5-phenothiazin-10-yl-2-pyrimidin-5-ylisoindole-1,3-dione;5-phenoxazin-10-yl-2-pyrimidin-5-ylisoindole-1,3-dione is CC1(C)c2ccccc2N(c2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c2ccccc21.C[Si]1(C)c2ccccc2N(c2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c2ccccc21.O=C1c2ccc(N3c4ccccc4Oc4ccccc43)cc2C(=O)N1c1cncnc1.O=C1c2ccc(N3c4ccccc4Sc4ccccc43)cc2C(=O)N1c1ccccc1.O=C1c2ccc(N3c4ccccc4Sc4ccccc43)cc2C(=O)N1c1cncnc1.

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

The InChIKey is FOULIGHVFUWHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N2O2.C28H22N2O2Si.C26H16N2O2S.C24H14N4O3.C24H14N4O2S/c1-29(2)23-12-6-8-14-25(23)30(26-15-9-7-13-24(26)29)20-16-17-21-22(18-20)28(33)31(27(21)32)19-10-4-3-5-11-19;1-33(2)25-14-8-6-12-23(25)29(24-13-7-9-15-26(24)33)20-16-17-21-22(18-20)28(32)30(27(21)31)19-10-4-3-5-11-19;29-25-19-15-14-18(16-20(19)26(30)28(25)17-8-2-1-3-9-17)27-21-10-4-6-12-23(21)31-24-13-7-5-11-22(24)27;2*29-23-17-10-9-15(11-18(17)24(30)28(23)16-12-25-14-26-13-16)27-19-5-1-3-7-21(19)31-22-8-4-2-6-20(22)27/h2*3-18H,1-2H3;1-16H;2*1-14H.

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

5-(9,9-dimethylacridin-10-yl)-2-phenylisoindole-1,3-dione;5-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-phenylisoindole-1,3-dione;5-phenothiazin-10-yl-2-phenylisoindole-1,3-dione;5-phenothiazin-10-yl-2-pyrimidin-5-ylisoindole-1,3-dione;5-phenoxazin-10-yl-2-pyrimidin-5-ylisoindole-1,3-dione has a molecular weight of 2126.45 g/mol, XLogP of 28.18, 10 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(9,9-dimethylacridin-10-yl)-2-phenylisoindole-1,3-dione;5-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-phenylisoindole-1,3-dione;5-phenothiazin-10-yl-2-phenylisoindole-1,3-dione;5-phenothiazin-10-yl-2-pyrimidin-5-ylisoindole-1,3-dione;5-phenoxazin-10-yl-2-pyrimidin-5-ylisoindole-1,3-dione is sourced from PubChem (CID 158097074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).