7-[3-[2-(5,5-dimethyl-2-phenyl-[1]benzosilolo[3,2-d]pyrimidin-4-yl)phenyl]phenyl]-5,5-dimethyl-4-phenyl-2-(2-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidine

C60H46N4Si2 — CID 123615230

About 7-[3-[2-(5,5-dimethyl-2-phenyl-[1]benzosilolo[3,2-d]pyrimidin-4-yl)phenyl]phenyl]-5,5-dimethyl-4-phenyl-2-(2-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidine

7-[3-[2-(5,5-dimethyl-2-phenyl-[1]benzosilolo[3,2-d]pyrimidin-4-yl)phenyl]phenyl]-5,5-dimethyl-4-phenyl-2-(2-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidine (PubChem CID 123615230) has the molecular formula C60H46N4Si2 and a molecular weight of 879.23 g/mol. Its IUPAC name is 7-[3-[2-(5,5-dimethyl-2-phenyl-[1]benzosilolo[3,2-d]pyrimidin-4-yl)phenyl]phenyl]-5,5-dimethyl-4-phenyl-2-(2-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidine.

Molecular Properties

• Compound Name: 7-[3-[2-(5,5-dimethyl-2-phenyl-[1]benzosilolo[3,2-d]pyrimidin-4-yl)phenyl]phenyl]-5,5-dimethyl-4-phenyl-2-(2-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidine
• PubChem CID: 123615230
• Molecular Formula: C60H46N4Si2
• Molecular Weight: 879.23 g/mol
• Exact Mass: 878.33
• IUPAC Name: 7-[3-[2-(5,5-dimethyl-2-phenyl-[1]benzosilolo[3,2-d]pyrimidin-4-yl)phenyl]phenyl]-5,5-dimethyl-4-phenyl-2-(2-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidine
• SMILES: C[Si]1(C)c2cc(-c3cccc(-c4ccccc4-c4nc(-c5ccccc5)nc5c4[Si](C)(C)c4ccccc4-5)c3)ccc2-c2nc(-c3ccccc3-c3ccccc3)nc(-c3ccccc3)c21
• InChI: InChI=1S/C60H46N4Si2/c1-65(2)51-34-19-18-33-49(51)55-58(65)54(62-59(63-55)41-25-12-7-13-26-41)47-31-16-14-30-46(47)44-28-20-27-42(37-44)43-35-36-50-52(38-43)66(3,4)57-53(40-23-10-6-11-24-40)61-60(64-56(50)57)48-32-17-15-29-45(48)39-21-8-5-9-22-39/h5-38H,1-4H3
• InChIKey: IYOVWWYMMCWYEA-UHFFFAOYSA-N
• XLogP: 12.54
• TPSA: 51.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	879.23
LogP ≤ 5	12.54
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 7-[3-[2-(5,5-dimethyl-2-phenyl-[1]benzosilolo[3,2-d]pyrimidin-4-yl)phenyl]phenyl]-5,5-dimethyl-4-phenyl-2-(2-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidine?

The IUPAC name of 7-[3-[2-(5,5-dimethyl-2-phenyl-[1]benzosilolo[3,2-d]pyrimidin-4-yl)phenyl]phenyl]-5,5-dimethyl-4-phenyl-2-(2-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidine (CID 123615230) is 7-[3-[2-(5,5-dimethyl-2-phenyl-[1]benzosilolo[3,2-d]pyrimidin-4-yl)phenyl]phenyl]-5,5-dimethyl-4-phenyl-2-(2-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidine.

What is the SMILES notation for 7-[3-[2-(5,5-dimethyl-2-phenyl-[1]benzosilolo[3,2-d]pyrimidin-4-yl)phenyl]phenyl]-5,5-dimethyl-4-phenyl-2-(2-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidine?

The canonical SMILES for 7-[3-[2-(5,5-dimethyl-2-phenyl-[1]benzosilolo[3,2-d]pyrimidin-4-yl)phenyl]phenyl]-5,5-dimethyl-4-phenyl-2-(2-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidine is C[Si]1(C)c2cc(-c3cccc(-c4ccccc4-c4nc(-c5ccccc5)nc5c4[Si](C)(C)c4ccccc4-5)c3)ccc2-c2nc(-c3ccccc3-c3ccccc3)nc(-c3ccccc3)c21.

What is the InChIKey of 7-[3-[2-(5,5-dimethyl-2-phenyl-[1]benzosilolo[3,2-d]pyrimidin-4-yl)phenyl]phenyl]-5,5-dimethyl-4-phenyl-2-(2-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidine?

The InChIKey is IYOVWWYMMCWYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H46N4Si2/c1-65(2)51-34-19-18-33-49(51)55-58(65)54(62-59(63-55)41-25-12-7-13-26-41)47-31-16-14-30-46(47)44-28-20-27-42(37-44)43-35-36-50-52(38-43)66(3,4)57-53(40-23-10-6-11-24-40)61-60(64-56(50)57)48-32-17-15-29-45(48)39-21-8-5-9-22-39/h5-38H,1-4H3.

What are the key properties of 7-[3-[2-(5,5-dimethyl-2-phenyl-[1]benzosilolo[3,2-d]pyrimidin-4-yl)phenyl]phenyl]-5,5-dimethyl-4-phenyl-2-(2-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidine?

7-[3-[2-(5,5-dimethyl-2-phenyl-[1]benzosilolo[3,2-d]pyrimidin-4-yl)phenyl]phenyl]-5,5-dimethyl-4-phenyl-2-(2-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidine has a molecular weight of 879.23 g/mol, XLogP of 12.54, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[3-[2-(5,5-dimethyl-2-phenyl-[1]benzosilolo[3,2-d]pyrimidin-4-yl)phenyl]phenyl]-5,5-dimethyl-4-phenyl-2-(2-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidine is sourced from PubChem (CID 123615230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).