8-[6-[3-(5,5-dimethyl-4-phenyl-[1]benzosilolo[3,2-d]pyrimidin-2-yl)phenyl]naphthalen-2-yl]-5,5-dimethyl-2-naphthalen-2-yl-4-phenyl-[1]benzosilolo[3,2-d]pyrimidine

C62H46N4Si2 — CID 123848782

About 8-[6-[3-(5,5-dimethyl-4-phenyl-[1]benzosilolo[3,2-d]pyrimidin-2-yl)phenyl]naphthalen-2-yl]-5,5-dimethyl-2-naphthalen-2-yl-4-phenyl-[1]benzosilolo[3,2-d]pyrimidine

8-[6-[3-(5,5-dimethyl-4-phenyl-[1]benzosilolo[3,2-d]pyrimidin-2-yl)phenyl]naphthalen-2-yl]-5,5-dimethyl-2-naphthalen-2-yl-4-phenyl-[1]benzosilolo[3,2-d]pyrimidine (PubChem CID 123848782) has the molecular formula C62H46N4Si2 and a molecular weight of 903.25 g/mol. Its IUPAC name is 8-[6-[3-(5,5-dimethyl-4-phenyl-[1]benzosilolo[3,2-d]pyrimidin-2-yl)phenyl]naphthalen-2-yl]-5,5-dimethyl-2-naphthalen-2-yl-4-phenyl-[1]benzosilolo[3,2-d]pyrimidine.

Molecular Properties

• Compound Name: 8-[6-[3-(5,5-dimethyl-4-phenyl-[1]benzosilolo[3,2-d]pyrimidin-2-yl)phenyl]naphthalen-2-yl]-5,5-dimethyl-2-naphthalen-2-yl-4-phenyl-[1]benzosilolo[3,2-d]pyrimidine
• PubChem CID: 123848782
• Molecular Formula: C62H46N4Si2
• Molecular Weight: 903.25 g/mol
• Exact Mass: 902.33
• IUPAC Name: 8-[6-[3-(5,5-dimethyl-4-phenyl-[1]benzosilolo[3,2-d]pyrimidin-2-yl)phenyl]naphthalen-2-yl]-5,5-dimethyl-2-naphthalen-2-yl-4-phenyl-[1]benzosilolo[3,2-d]pyrimidine
• SMILES: C[Si]1(C)c2ccccc2-c2nc(-c3cccc(-c4ccc5cc(-c6ccc7c(c6)-c6nc(-c8ccc9ccccc9c8)nc(-c8ccccc8)c6[Si]7(C)C)ccc5c4)c3)nc(-c3ccccc3)c21
• InChI: InChI=1S/C62H46N4Si2/c1-67(2)53-25-14-13-24-51(53)57-59(67)55(40-17-7-5-8-18-40)63-61(65-57)49-23-15-22-43(37-49)44-27-28-46-35-47(30-29-45(46)34-44)48-32-33-54-52(38-48)58-60(68(54,3)4)56(41-19-9-6-10-20-41)64-62(66-58)50-31-26-39-16-11-12-21-42(39)36-50/h5-38H,1-4H3
• InChIKey: APCRVVCHJIGWIC-UHFFFAOYSA-N
• XLogP: 13.18
• TPSA: 51.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	903.25
LogP ≤ 5	13.18
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 8-[6-[3-(5,5-dimethyl-4-phenyl-[1]benzosilolo[3,2-d]pyrimidin-2-yl)phenyl]naphthalen-2-yl]-5,5-dimethyl-2-naphthalen-2-yl-4-phenyl-[1]benzosilolo[3,2-d]pyrimidine?

The IUPAC name of 8-[6-[3-(5,5-dimethyl-4-phenyl-[1]benzosilolo[3,2-d]pyrimidin-2-yl)phenyl]naphthalen-2-yl]-5,5-dimethyl-2-naphthalen-2-yl-4-phenyl-[1]benzosilolo[3,2-d]pyrimidine (CID 123848782) is 8-[6-[3-(5,5-dimethyl-4-phenyl-[1]benzosilolo[3,2-d]pyrimidin-2-yl)phenyl]naphthalen-2-yl]-5,5-dimethyl-2-naphthalen-2-yl-4-phenyl-[1]benzosilolo[3,2-d]pyrimidine.

What is the SMILES notation for 8-[6-[3-(5,5-dimethyl-4-phenyl-[1]benzosilolo[3,2-d]pyrimidin-2-yl)phenyl]naphthalen-2-yl]-5,5-dimethyl-2-naphthalen-2-yl-4-phenyl-[1]benzosilolo[3,2-d]pyrimidine?

The canonical SMILES for 8-[6-[3-(5,5-dimethyl-4-phenyl-[1]benzosilolo[3,2-d]pyrimidin-2-yl)phenyl]naphthalen-2-yl]-5,5-dimethyl-2-naphthalen-2-yl-4-phenyl-[1]benzosilolo[3,2-d]pyrimidine is C[Si]1(C)c2ccccc2-c2nc(-c3cccc(-c4ccc5cc(-c6ccc7c(c6)-c6nc(-c8ccc9ccccc9c8)nc(-c8ccccc8)c6[Si]7(C)C)ccc5c4)c3)nc(-c3ccccc3)c21.

What is the InChIKey of 8-[6-[3-(5,5-dimethyl-4-phenyl-[1]benzosilolo[3,2-d]pyrimidin-2-yl)phenyl]naphthalen-2-yl]-5,5-dimethyl-2-naphthalen-2-yl-4-phenyl-[1]benzosilolo[3,2-d]pyrimidine?

The InChIKey is APCRVVCHJIGWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H46N4Si2/c1-67(2)53-25-14-13-24-51(53)57-59(67)55(40-17-7-5-8-18-40)63-61(65-57)49-23-15-22-43(37-49)44-27-28-46-35-47(30-29-45(46)34-44)48-32-33-54-52(38-48)58-60(68(54,3)4)56(41-19-9-6-10-20-41)64-62(66-58)50-31-26-39-16-11-12-21-42(39)36-50/h5-38H,1-4H3.

What are the key properties of 8-[6-[3-(5,5-dimethyl-4-phenyl-[1]benzosilolo[3,2-d]pyrimidin-2-yl)phenyl]naphthalen-2-yl]-5,5-dimethyl-2-naphthalen-2-yl-4-phenyl-[1]benzosilolo[3,2-d]pyrimidine?

8-[6-[3-(5,5-dimethyl-4-phenyl-[1]benzosilolo[3,2-d]pyrimidin-2-yl)phenyl]naphthalen-2-yl]-5,5-dimethyl-2-naphthalen-2-yl-4-phenyl-[1]benzosilolo[3,2-d]pyrimidine has a molecular weight of 903.25 g/mol, XLogP of 13.18, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[6-[3-(5,5-dimethyl-4-phenyl-[1]benzosilolo[3,2-d]pyrimidin-2-yl)phenyl]naphthalen-2-yl]-5,5-dimethyl-2-naphthalen-2-yl-4-phenyl-[1]benzosilolo[3,2-d]pyrimidine is sourced from PubChem (CID 123848782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).