2-[3-(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine

C52H35N3OSi — CID 154010689

About 2-[3-(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine

2-[3-(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine (PubChem CID 154010689) has the molecular formula C52H35N3OSi and a molecular weight of 745.96 g/mol. Its IUPAC name is 2-[3-(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine.

Molecular Properties

• Compound Name: 2-[3-(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine
• PubChem CID: 154010689
• Molecular Formula: C52H35N3OSi
• Molecular Weight: 745.96 g/mol
• Exact Mass: 745.25
• IUPAC Name: 2-[3-(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine
• SMILES: C[Si]1(C)c2ccccc2-c2c(-c3ccccc3)nc(-c3cccc(-n4c5ccc(-c6ccc7oc8ccccc8c7c6)cc5c5c6ccccc6ccc54)c3)nc21
• InChI: InChI=1S/C52H35N3OSi/c1-57(2)47-22-11-9-20-40(47)49-50(33-14-4-3-5-15-33)53-51(54-52(49)57)36-16-12-17-37(29-36)55-43-26-24-34(31-42(43)48-38-18-7-6-13-32(38)23-27-44(48)55)35-25-28-46-41(30-35)39-19-8-10-21-45(39)56-46/h3-31H,1-2H3
• InChIKey: BUZZAHZCWYJHHZ-UHFFFAOYSA-N
• XLogP: 12.43
• TPSA: 43.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	745.96
LogP ≤ 5	12.43
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 2-[3-(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine?

The IUPAC name of 2-[3-(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine (CID 154010689) is 2-[3-(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine.

What is the SMILES notation for 2-[3-(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine?

The canonical SMILES for 2-[3-(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine is C[Si]1(C)c2ccccc2-c2c(-c3ccccc3)nc(-c3cccc(-n4c5ccc(-c6ccc7oc8ccccc8c7c6)cc5c5c6ccccc6ccc54)c3)nc21.

What is the InChIKey of 2-[3-(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine?

The InChIKey is BUZZAHZCWYJHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35N3OSi/c1-57(2)47-22-11-9-20-40(47)49-50(33-14-4-3-5-15-33)53-51(54-52(49)57)36-16-12-17-37(29-36)55-43-26-24-34(31-42(43)48-38-18-7-6-13-32(38)23-27-44(48)55)35-25-28-46-41(30-35)39-19-8-10-21-45(39)56-46/h3-31H,1-2H3.

What are the key properties of 2-[3-(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine?

2-[3-(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine has a molecular weight of 745.96 g/mol, XLogP of 12.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(10-dibenzofuran-2-ylbenzo[c]carbazol-7-yl)phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine is sourced from PubChem (CID 154010689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).