5,5-dimethyl-4-phenyl-2-[3-[3-[3-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]-[1]benzosilolo[3,2-d]pyrimidine

C56H40N4Si — CID 140747379

About 5,5-dimethyl-4-phenyl-2-[3-[3-[3-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]-[1]benzosilolo[3,2-d]pyrimidine

5,5-dimethyl-4-phenyl-2-[3-[3-[3-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]-[1]benzosilolo[3,2-d]pyrimidine (PubChem CID 140747379) has the molecular formula C56H40N4Si and a molecular weight of 797.05 g/mol. Its IUPAC name is 5,5-dimethyl-4-phenyl-2-[3-[3-[3-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]-[1]benzosilolo[3,2-d]pyrimidine.

Molecular Properties

• Compound Name: 5,5-dimethyl-4-phenyl-2-[3-[3-[3-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]-[1]benzosilolo[3,2-d]pyrimidine
• PubChem CID: 140747379
• Molecular Formula: C56H40N4Si
• Molecular Weight: 797.05 g/mol
• Exact Mass: 796.30
• IUPAC Name: 5,5-dimethyl-4-phenyl-2-[3-[3-[3-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]-[1]benzosilolo[3,2-d]pyrimidine
• SMILES: C[Si]1(C)c2ccccc2-c2nc(-c3cccc(-c4cccc(-c5cccc(-c6cccc(-c7nc(-c8ccccc8)c8ccccc8n7)c6)c5)c4)c3)nc(-c3ccccc3)c21
• InChI: InChI=1S/C56H40N4Si/c1-61(2)50-32-12-10-30-48(50)53-54(61)52(38-19-7-4-8-20-38)59-56(60-53)46-28-16-26-44(36-46)42-24-14-22-40(34-42)39-21-13-23-41(33-39)43-25-15-27-45(35-43)55-57-49-31-11-9-29-47(49)51(58-55)37-17-5-3-6-18-37/h3-36H,1-2H3
• InChIKey: BHBBIFTTZVHDRJ-UHFFFAOYSA-N
• XLogP: 12.89
• TPSA: 51.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	797.05
LogP ≤ 5	12.89
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 5,5-dimethyl-4-phenyl-2-[3-[3-[3-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]-[1]benzosilolo[3,2-d]pyrimidine?

The IUPAC name of 5,5-dimethyl-4-phenyl-2-[3-[3-[3-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]-[1]benzosilolo[3,2-d]pyrimidine (CID 140747379) is 5,5-dimethyl-4-phenyl-2-[3-[3-[3-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]-[1]benzosilolo[3,2-d]pyrimidine.

What is the SMILES notation for 5,5-dimethyl-4-phenyl-2-[3-[3-[3-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]-[1]benzosilolo[3,2-d]pyrimidine?

The canonical SMILES for 5,5-dimethyl-4-phenyl-2-[3-[3-[3-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]-[1]benzosilolo[3,2-d]pyrimidine is C[Si]1(C)c2ccccc2-c2nc(-c3cccc(-c4cccc(-c5cccc(-c6cccc(-c7nc(-c8ccccc8)c8ccccc8n7)c6)c5)c4)c3)nc(-c3ccccc3)c21.

What is the InChIKey of 5,5-dimethyl-4-phenyl-2-[3-[3-[3-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]-[1]benzosilolo[3,2-d]pyrimidine?

The InChIKey is BHBBIFTTZVHDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H40N4Si/c1-61(2)50-32-12-10-30-48(50)53-54(61)52(38-19-7-4-8-20-38)59-56(60-53)46-28-16-26-44(36-46)42-24-14-22-40(34-42)39-21-13-23-41(33-39)43-25-15-27-45(35-43)55-57-49-31-11-9-29-47(49)51(58-55)37-17-5-3-6-18-37/h3-36H,1-2H3.

What are the key properties of 5,5-dimethyl-4-phenyl-2-[3-[3-[3-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]-[1]benzosilolo[3,2-d]pyrimidine?

5,5-dimethyl-4-phenyl-2-[3-[3-[3-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]-[1]benzosilolo[3,2-d]pyrimidine has a molecular weight of 797.05 g/mol, XLogP of 12.89, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5,5-dimethyl-4-phenyl-2-[3-[3-[3-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]-[1]benzosilolo[3,2-d]pyrimidine is sourced from PubChem (CID 140747379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).