12-(5,5-dimethyl-2-phenyl-[1]benzosilolo[3,2-d]pyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole

C36H25N3OSi — CID 140805176

About 12-(5,5-dimethyl-2-phenyl-[1]benzosilolo[3,2-d]pyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole

12-(5,5-dimethyl-2-phenyl-[1]benzosilolo[3,2-d]pyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole (PubChem CID 140805176) has the molecular formula C36H25N3OSi and a molecular weight of 543.70 g/mol. Its IUPAC name is 12-(5,5-dimethyl-2-phenyl-[1]benzosilolo[3,2-d]pyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

• Compound Name: 12-(5,5-dimethyl-2-phenyl-[1]benzosilolo[3,2-d]pyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole
• PubChem CID: 140805176
• Molecular Formula: C36H25N3OSi
• Molecular Weight: 543.70 g/mol
• Exact Mass: 543.18
• IUPAC Name: 12-(5,5-dimethyl-2-phenyl-[1]benzosilolo[3,2-d]pyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole
• SMILES: C[Si]1(C)c2ccccc2-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)c21
• InChI: InChI=1S/C36H25N3OSi/c1-41(2)30-19-11-8-16-27(30)31-34(41)36(38-35(37-31)22-12-4-3-5-13-22)39-28-17-9-6-14-23(28)25-20-21-26-24-15-7-10-18-29(24)40-33(26)32(25)39/h3-21H,1-2H3
• InChIKey: DBUYGRUNJIOMOX-UHFFFAOYSA-N
• XLogP: 7.94
• TPSA: 43.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	543.70
LogP ≤ 5	7.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 12-(5,5-dimethyl-2-phenyl-[1]benzosilolo[3,2-d]pyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole?

The IUPAC name of 12-(5,5-dimethyl-2-phenyl-[1]benzosilolo[3,2-d]pyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole (CID 140805176) is 12-(5,5-dimethyl-2-phenyl-[1]benzosilolo[3,2-d]pyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole.

What is the SMILES notation for 12-(5,5-dimethyl-2-phenyl-[1]benzosilolo[3,2-d]pyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole?

The canonical SMILES for 12-(5,5-dimethyl-2-phenyl-[1]benzosilolo[3,2-d]pyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole is C[Si]1(C)c2ccccc2-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)c21.

What is the InChIKey of 12-(5,5-dimethyl-2-phenyl-[1]benzosilolo[3,2-d]pyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole?

The InChIKey is DBUYGRUNJIOMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25N3OSi/c1-41(2)30-19-11-8-16-27(30)31-34(41)36(38-35(37-31)22-12-4-3-5-13-22)39-28-17-9-6-14-23(28)25-20-21-26-24-15-7-10-18-29(24)40-33(26)32(25)39/h3-21H,1-2H3.

What are the key properties of 12-(5,5-dimethyl-2-phenyl-[1]benzosilolo[3,2-d]pyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole?

12-(5,5-dimethyl-2-phenyl-[1]benzosilolo[3,2-d]pyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole has a molecular weight of 543.70 g/mol, XLogP of 7.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 12-(5,5-dimethyl-2-phenyl-[1]benzosilolo[3,2-d]pyrimidin-4-yl)-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 140805176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).