9,9-dimethyl-4-(3-phenylphenyl)-2-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-(4-phenylphenyl)-2-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine

C156H116N6Si3 — CID 160774994

About 9,9-dimethyl-4-(3-phenylphenyl)-2-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-(4-phenylphenyl)-2-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine

9,9-dimethyl-4-(3-phenylphenyl)-2-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-(4-phenylphenyl)-2-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine (PubChem CID 160774994) has the molecular formula C156H116N6Si3 and a molecular weight of 2158.94 g/mol. Its IUPAC name is 9,9-dimethyl-4-(3-phenylphenyl)-2-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-(4-phenylphenyl)-2-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine.

Molecular Properties

• Compound Name: 9,9-dimethyl-4-(3-phenylphenyl)-2-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-(4-phenylphenyl)-2-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine
• PubChem CID: 160774994
• Molecular Formula: C156H116N6Si3
• Molecular Weight: 2158.94 g/mol
• Exact Mass: 2156.86
• IUPAC Name: 9,9-dimethyl-4-(3-phenylphenyl)-2-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-(4-phenylphenyl)-2-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine
• SMILES: C[Si]1(C)c2ccccc2-c2c(-c3ccc(-c4ccccc4)cc3)nc(-c3cccc(-c4cccc(-c5cccc(-c6cccc(-c7ccccc7)c6)c5)c4)c3)nc21.C[Si]1(C)c2ccccc2-c2c(-c3cccc(-c4ccccc4)c3)nc(-c3cccc(-c4cccc(-c5cccc(-c6cccc(-c7ccccc7)c6)c5)c4)c3)nc21.C[Si]1(C)c2ccccc2-c2c(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c4)c3)nc21
• InChI: InChI=1S/2C54H40N2Si.C48H36N2Si/c1-57(2)50-31-10-9-30-49(50)51-52(47-28-14-21-40(35-47)38-18-7-4-8-19-38)55-53(56-54(51)57)48-29-15-27-46(36-48)45-26-13-25-44(34-45)43-24-12-23-42(33-43)41-22-11-20-39(32-41)37-16-5-3-6-17-37;1-57(2)50-28-10-9-27-49(50)51-52(40-31-29-39(30-32-40)37-15-5-3-6-16-37)55-53(56-54(51)57)48-26-14-25-47(36-48)46-24-13-23-45(35-46)44-22-12-21-43(34-44)42-20-11-19-41(33-42)38-17-7-4-8-18-38;1-51(2)44-27-13-12-26-43(44)45-46(35-20-10-5-11-21-35)49-47(50-48(45)51)39-25-15-23-37(29-39)36-22-14-24-38(28-36)42-31-40(33-16-6-3-7-17-33)30-41(32-42)34-18-8-4-9-19-34/h2*3-36H,1-2H3;3-32H,1-2H3
• InChIKey: RZVCNRURNUNCGX-UHFFFAOYSA-N
• XLogP: 37.18
• TPSA: 77.34 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 20
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2158.94
LogP ≤ 5	37.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-4-(3-phenylphenyl)-2-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-(4-phenylphenyl)-2-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine?

The IUPAC name of 9,9-dimethyl-4-(3-phenylphenyl)-2-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-(4-phenylphenyl)-2-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine (CID 160774994) is 9,9-dimethyl-4-(3-phenylphenyl)-2-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-(4-phenylphenyl)-2-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine.

What is the SMILES notation for 9,9-dimethyl-4-(3-phenylphenyl)-2-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-(4-phenylphenyl)-2-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine?

The canonical SMILES for 9,9-dimethyl-4-(3-phenylphenyl)-2-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-(4-phenylphenyl)-2-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine is C[Si]1(C)c2ccccc2-c2c(-c3ccc(-c4ccccc4)cc3)nc(-c3cccc(-c4cccc(-c5cccc(-c6cccc(-c7ccccc7)c6)c5)c4)c3)nc21.C[Si]1(C)c2ccccc2-c2c(-c3cccc(-c4ccccc4)c3)nc(-c3cccc(-c4cccc(-c5cccc(-c6cccc(-c7ccccc7)c6)c5)c4)c3)nc21.C[Si]1(C)c2ccccc2-c2c(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c4)c3)nc21.

What is the InChIKey of 9,9-dimethyl-4-(3-phenylphenyl)-2-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-(4-phenylphenyl)-2-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine?

The InChIKey is RZVCNRURNUNCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C54H40N2Si.C48H36N2Si/c1-57(2)50-31-10-9-30-49(50)51-52(47-28-14-21-40(35-47)38-18-7-4-8-19-38)55-53(56-54(51)57)48-29-15-27-46(36-48)45-26-13-25-44(34-45)43-24-12-23-42(33-43)41-22-11-20-39(32-41)37-16-5-3-6-17-37;1-57(2)50-28-10-9-27-49(50)51-52(40-31-29-39(30-32-40)37-15-5-3-6-16-37)55-53(56-54(51)57)48-26-14-25-47(36-48)46-24-13-23-45(35-46)44-22-12-21-43(34-44)42-20-11-19-41(33-42)38-17-7-4-8-18-38;1-51(2)44-27-13-12-26-43(44)45-46(35-20-10-5-11-21-35)49-47(50-48(45)51)39-25-15-23-37(29-39)36-22-14-24-38(28-36)42-31-40(33-16-6-3-7-17-33)30-41(32-42)34-18-8-4-9-19-34/h2*3-36H,1-2H3;3-32H,1-2H3.

What are the key properties of 9,9-dimethyl-4-(3-phenylphenyl)-2-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-(4-phenylphenyl)-2-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine?

9,9-dimethyl-4-(3-phenylphenyl)-2-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-(4-phenylphenyl)-2-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine has a molecular weight of 2158.94 g/mol, XLogP of 37.18, 20 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-4-(3-phenylphenyl)-2-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-(4-phenylphenyl)-2-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine is sourced from PubChem (CID 160774994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).