5,5-dimethyl-2-phenyl-4-pyridin-4-yl-[1]benzosilolo[3,2-d]pyrimidine;9,9-dimethyl-2-phenyl-4-pyridin-4-yl-[1]benzosilolo[2,3-d]pyrimidine;2,5-diphenyl-4-pyridin-4-ylpyrimido[5,4-b]indole;2,9-diphenyl-4-pyridin-4-ylpyrimido[4,5-b]indole;2-phenyl-4-pyridin-4-yl-[1]benzofuro[2,3-d]pyrimidine;2-phenyl-4-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-pyridin-4-yl-[1]benzothiolo[2,3-d]pyrimidine;2-phenyl-4-pyridin-4-yl-[1]benzothiolo[3,2-d]pyrimidine

C184H126N26O2S2Si2 — CID 157185844

About 5,5-dimethyl-2-phenyl-4-pyridin-4-yl-[1]benzosilolo[3,2-d]pyrimidine;9,9-dimethyl-2-phenyl-4-pyridin-4-yl-[1]benzosilolo[2,3-d]pyrimidine;2,5-diphenyl-4-pyridin-4-ylpyrimido[5,4-b]indole;2,9-diphenyl-4-pyridin-4-ylpyrimido[4,5-b]indole;2-phenyl-4-pyridin-4-yl-[1]benzofuro[2,3-d]pyrimidine;2-phenyl-4-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-pyridin-4-yl-[1]benzothiolo[2,3-d]pyrimidine;2-phenyl-4-pyridin-4-yl-[1]benzothiolo[3,2-d]pyrimidine

5,5-dimethyl-2-phenyl-4-pyridin-4-yl-[1]benzosilolo[3,2-d]pyrimidine;9,9-dimethyl-2-phenyl-4-pyridin-4-yl-[1]benzosilolo[2,3-d]pyrimidine;2,5-diphenyl-4-pyridin-4-ylpyrimido[5,4-b]indole;2,9-diphenyl-4-pyridin-4-ylpyrimido[4,5-b]indole;2-phenyl-4-pyridin-4-yl-[1]benzofuro[2,3-d]pyrimidine;2-phenyl-4-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-pyridin-4-yl-[1]benzothiolo[2,3-d]pyrimidine;2-phenyl-4-pyridin-4-yl-[1]benzothiolo[3,2-d]pyrimidine (PubChem CID 157185844) has the molecular formula C184H126N26O2S2Si2 and a molecular weight of 2853.52 g/mol. Its IUPAC name is 5,5-dimethyl-2-phenyl-4-pyridin-4-yl-[1]benzosilolo[3,2-d]pyrimidine;9,9-dimethyl-2-phenyl-4-pyridin-4-yl-[1]benzosilolo[2,3-d]pyrimidine;2,5-diphenyl-4-pyridin-4-ylpyrimido[5,4-b]indole;2,9-diphenyl-4-pyridin-4-ylpyrimido[4,5-b]indole;2-phenyl-4-pyridin-4-yl-[1]benzofuro[2,3-d]pyrimidine;2-phenyl-4-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-pyridin-4-yl-[1]benzothiolo[2,3-d]pyrimidine;2-phenyl-4-pyridin-4-yl-[1]benzothiolo[3,2-d]pyrimidine.

Molecular Properties

• Compound Name: 5,5-dimethyl-2-phenyl-4-pyridin-4-yl-[1]benzosilolo[3,2-d]pyrimidine;9,9-dimethyl-2-phenyl-4-pyridin-4-yl-[1]benzosilolo[2,3-d]pyrimidine;2,5-diphenyl-4-pyridin-4-ylpyrimido[5,4-b]indole;2,9-diphenyl-4-pyridin-4-ylpyrimido[4,5-b]indole;2-phenyl-4-pyridin-4-yl-[1]benzofuro[2,3-d]pyrimidine;2-phenyl-4-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-pyridin-4-yl-[1]benzothiolo[2,3-d]pyrimidine;2-phenyl-4-pyridin-4-yl-[1]benzothiolo[3,2-d]pyrimidine
• PubChem CID: 157185844
• Molecular Formula: C184H126N26O2S2Si2
• Molecular Weight: 2853.52 g/mol
• Exact Mass: 2850.95
• IUPAC Name: 5,5-dimethyl-2-phenyl-4-pyridin-4-yl-[1]benzosilolo[3,2-d]pyrimidine;9,9-dimethyl-2-phenyl-4-pyridin-4-yl-[1]benzosilolo[2,3-d]pyrimidine;2,5-diphenyl-4-pyridin-4-ylpyrimido[5,4-b]indole;2,9-diphenyl-4-pyridin-4-ylpyrimido[4,5-b]indole;2-phenyl-4-pyridin-4-yl-[1]benzofuro[2,3-d]pyrimidine;2-phenyl-4-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-pyridin-4-yl-[1]benzothiolo[2,3-d]pyrimidine;2-phenyl-4-pyridin-4-yl-[1]benzothiolo[3,2-d]pyrimidine
• SMILES: C[Si]1(C)c2ccccc2-c2c(-c3ccncc3)nc(-c3ccccc3)nc21.C[Si]1(C)c2ccccc2-c2nc(-c3ccccc3)nc(-c3ccncc3)c21.c1ccc(-c2nc(-c3ccncc3)c3c(n2)c2ccccc2n3-c2ccccc2)cc1.c1ccc(-c2nc(-c3ccncc3)c3c(n2)oc2ccccc23)cc1.c1ccc(-c2nc(-c3ccncc3)c3c(n2)sc2ccccc23)cc1.c1ccc(-c2nc(-c3ccncc3)c3c4ccccc4n(-c4ccccc4)c3n2)cc1.c1ccc(-c2nc(-c3ccncc3)c3oc4ccccc4c3n2)cc1.c1ccc(-c2nc(-c3ccncc3)c3sc4ccccc4c3n2)cc1
• InChI: InChI=1S/2C27H18N4.2C23H19N3Si.2C21H13N3O.2C21H13N3S/c1-3-9-20(10-4-1)26-29-25(19-15-17-28-18-16-19)24-22-13-7-8-14-23(22)31(27(24)30-26)21-11-5-2-6-12-21;1-3-9-20(10-4-1)27-29-24(19-15-17-28-18-16-19)26-25(30-27)22-13-7-8-14-23(22)31(26)21-11-5-2-6-12-21;1-27(2)19-11-7-6-10-18(19)20-21(16-12-14-24-15-13-16)25-22(26-23(20)27)17-8-4-3-5-9-17;1-27(2)19-11-7-6-10-18(19)21-22(27)20(16-12-14-24-15-13-16)25-23(26-21)17-8-4-3-5-9-17;1-2-6-15(7-3-1)20-23-19(14-10-12-22-13-11-14)18-16-8-4-5-9-17(16)25-21(18)24-20;1-2-6-15(7-3-1)21-23-18(14-10-12-22-13-11-14)20-19(24-21)16-8-4-5-9-17(16)25-20;1-2-6-15(7-3-1)20-23-19(14-10-12-22-13-11-14)18-16-8-4-5-9-17(16)25-21(18)24-20;1-2-6-15(7-3-1)21-23-18(14-10-12-22-13-11-14)20-19(24-21)16-8-4-5-9-17(16)25-20/h2*1-18H;2*3-15H,1-2H3;4*1-13H
• InChIKey: APCLPLJEFPXCKL-UHFFFAOYSA-N
• XLogP: 41.98
• TPSA: 345.50 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 18
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2853.52
LogP ≤ 5	41.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-phenyl-4-pyridin-4-yl-[1]benzosilolo[3,2-d]pyrimidine;9,9-dimethyl-2-phenyl-4-pyridin-4-yl-[1]benzosilolo[2,3-d]pyrimidine;2,5-diphenyl-4-pyridin-4-ylpyrimido[5,4-b]indole;2,9-diphenyl-4-pyridin-4-ylpyrimido[4,5-b]indole;2-phenyl-4-pyridin-4-yl-[1]benzofuro[2,3-d]pyrimidine;2-phenyl-4-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-pyridin-4-yl-[1]benzothiolo[2,3-d]pyrimidine;2-phenyl-4-pyridin-4-yl-[1]benzothiolo[3,2-d]pyrimidine?

The IUPAC name of 5,5-dimethyl-2-phenyl-4-pyridin-4-yl-[1]benzosilolo[3,2-d]pyrimidine;9,9-dimethyl-2-phenyl-4-pyridin-4-yl-[1]benzosilolo[2,3-d]pyrimidine;2,5-diphenyl-4-pyridin-4-ylpyrimido[5,4-b]indole;2,9-diphenyl-4-pyridin-4-ylpyrimido[4,5-b]indole;2-phenyl-4-pyridin-4-yl-[1]benzofuro[2,3-d]pyrimidine;2-phenyl-4-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-pyridin-4-yl-[1]benzothiolo[2,3-d]pyrimidine;2-phenyl-4-pyridin-4-yl-[1]benzothiolo[3,2-d]pyrimidine (CID 157185844) is 5,5-dimethyl-2-phenyl-4-pyridin-4-yl-[1]benzosilolo[3,2-d]pyrimidine;9,9-dimethyl-2-phenyl-4-pyridin-4-yl-[1]benzosilolo[2,3-d]pyrimidine;2,5-diphenyl-4-pyridin-4-ylpyrimido[5,4-b]indole;2,9-diphenyl-4-pyridin-4-ylpyrimido[4,5-b]indole;2-phenyl-4-pyridin-4-yl-[1]benzofuro[2,3-d]pyrimidine;2-phenyl-4-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-pyridin-4-yl-[1]benzothiolo[2,3-d]pyrimidine;2-phenyl-4-pyridin-4-yl-[1]benzothiolo[3,2-d]pyrimidine.

What is the SMILES notation for 5,5-dimethyl-2-phenyl-4-pyridin-4-yl-[1]benzosilolo[3,2-d]pyrimidine;9,9-dimethyl-2-phenyl-4-pyridin-4-yl-[1]benzosilolo[2,3-d]pyrimidine;2,5-diphenyl-4-pyridin-4-ylpyrimido[5,4-b]indole;2,9-diphenyl-4-pyridin-4-ylpyrimido[4,5-b]indole;2-phenyl-4-pyridin-4-yl-[1]benzofuro[2,3-d]pyrimidine;2-phenyl-4-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-pyridin-4-yl-[1]benzothiolo[2,3-d]pyrimidine;2-phenyl-4-pyridin-4-yl-[1]benzothiolo[3,2-d]pyrimidine?

The canonical SMILES for 5,5-dimethyl-2-phenyl-4-pyridin-4-yl-[1]benzosilolo[3,2-d]pyrimidine;9,9-dimethyl-2-phenyl-4-pyridin-4-yl-[1]benzosilolo[2,3-d]pyrimidine;2,5-diphenyl-4-pyridin-4-ylpyrimido[5,4-b]indole;2,9-diphenyl-4-pyridin-4-ylpyrimido[4,5-b]indole;2-phenyl-4-pyridin-4-yl-[1]benzofuro[2,3-d]pyrimidine;2-phenyl-4-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-pyridin-4-yl-[1]benzothiolo[2,3-d]pyrimidine;2-phenyl-4-pyridin-4-yl-[1]benzothiolo[3,2-d]pyrimidine is C[Si]1(C)c2ccccc2-c2c(-c3ccncc3)nc(-c3ccccc3)nc21.C[Si]1(C)c2ccccc2-c2nc(-c3ccccc3)nc(-c3ccncc3)c21.c1ccc(-c2nc(-c3ccncc3)c3c(n2)c2ccccc2n3-c2ccccc2)cc1.c1ccc(-c2nc(-c3ccncc3)c3c(n2)oc2ccccc23)cc1.c1ccc(-c2nc(-c3ccncc3)c3c(n2)sc2ccccc23)cc1.c1ccc(-c2nc(-c3ccncc3)c3c4ccccc4n(-c4ccccc4)c3n2)cc1.c1ccc(-c2nc(-c3ccncc3)c3oc4ccccc4c3n2)cc1.c1ccc(-c2nc(-c3ccncc3)c3sc4ccccc4c3n2)cc1.

What is the InChIKey of 5,5-dimethyl-2-phenyl-4-pyridin-4-yl-[1]benzosilolo[3,2-d]pyrimidine;9,9-dimethyl-2-phenyl-4-pyridin-4-yl-[1]benzosilolo[2,3-d]pyrimidine;2,5-diphenyl-4-pyridin-4-ylpyrimido[5,4-b]indole;2,9-diphenyl-4-pyridin-4-ylpyrimido[4,5-b]indole;2-phenyl-4-pyridin-4-yl-[1]benzofuro[2,3-d]pyrimidine;2-phenyl-4-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-pyridin-4-yl-[1]benzothiolo[2,3-d]pyrimidine;2-phenyl-4-pyridin-4-yl-[1]benzothiolo[3,2-d]pyrimidine?

The InChIKey is APCLPLJEFPXCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H18N4.2C23H19N3Si.2C21H13N3O.2C21H13N3S/c1-3-9-20(10-4-1)26-29-25(19-15-17-28-18-16-19)24-22-13-7-8-14-23(22)31(27(24)30-26)21-11-5-2-6-12-21;1-3-9-20(10-4-1)27-29-24(19-15-17-28-18-16-19)26-25(30-27)22-13-7-8-14-23(22)31(26)21-11-5-2-6-12-21;1-27(2)19-11-7-6-10-18(19)20-21(16-12-14-24-15-13-16)25-22(26-23(20)27)17-8-4-3-5-9-17;1-27(2)19-11-7-6-10-18(19)21-22(27)20(16-12-14-24-15-13-16)25-23(26-21)17-8-4-3-5-9-17;1-2-6-15(7-3-1)20-23-19(14-10-12-22-13-11-14)18-16-8-4-5-9-17(16)25-21(18)24-20;1-2-6-15(7-3-1)21-23-18(14-10-12-22-13-11-14)20-19(24-21)16-8-4-5-9-17(16)25-20;1-2-6-15(7-3-1)20-23-19(14-10-12-22-13-11-14)18-16-8-4-5-9-17(16)25-21(18)24-20;1-2-6-15(7-3-1)21-23-18(14-10-12-22-13-11-14)20-19(24-21)16-8-4-5-9-17(16)25-20/h2*1-18H;2*3-15H,1-2H3;4*1-13H.

What are the key properties of 5,5-dimethyl-2-phenyl-4-pyridin-4-yl-[1]benzosilolo[3,2-d]pyrimidine;9,9-dimethyl-2-phenyl-4-pyridin-4-yl-[1]benzosilolo[2,3-d]pyrimidine;2,5-diphenyl-4-pyridin-4-ylpyrimido[5,4-b]indole;2,9-diphenyl-4-pyridin-4-ylpyrimido[4,5-b]indole;2-phenyl-4-pyridin-4-yl-[1]benzofuro[2,3-d]pyrimidine;2-phenyl-4-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-pyridin-4-yl-[1]benzothiolo[2,3-d]pyrimidine;2-phenyl-4-pyridin-4-yl-[1]benzothiolo[3,2-d]pyrimidine?

5,5-dimethyl-2-phenyl-4-pyridin-4-yl-[1]benzosilolo[3,2-d]pyrimidine;9,9-dimethyl-2-phenyl-4-pyridin-4-yl-[1]benzosilolo[2,3-d]pyrimidine;2,5-diphenyl-4-pyridin-4-ylpyrimido[5,4-b]indole;2,9-diphenyl-4-pyridin-4-ylpyrimido[4,5-b]indole;2-phenyl-4-pyridin-4-yl-[1]benzofuro[2,3-d]pyrimidine;2-phenyl-4-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-pyridin-4-yl-[1]benzothiolo[2,3-d]pyrimidine;2-phenyl-4-pyridin-4-yl-[1]benzothiolo[3,2-d]pyrimidine has a molecular weight of 2853.52 g/mol, XLogP of 41.98, 18 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 5,5-dimethyl-2-phenyl-4-pyridin-4-yl-[1]benzosilolo[3,2-d]pyrimidine;9,9-dimethyl-2-phenyl-4-pyridin-4-yl-[1]benzosilolo[2,3-d]pyrimidine;2,5-diphenyl-4-pyridin-4-ylpyrimido[5,4-b]indole;2,9-diphenyl-4-pyridin-4-ylpyrimido[4,5-b]indole;2-phenyl-4-pyridin-4-yl-[1]benzofuro[2,3-d]pyrimidine;2-phenyl-4-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-pyridin-4-yl-[1]benzothiolo[2,3-d]pyrimidine;2-phenyl-4-pyridin-4-yl-[1]benzothiolo[3,2-d]pyrimidine is sourced from PubChem (CID 157185844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).