4-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-5,5-dimethyl-2-phenyl-[1]benzosilolo[3,2-d]pyrimidine

C41H31N3Si — CID 140747435

IUPAC4-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-5,5-dimethyl-2-phenyl-[1]benzosilolo[3,2-d]pyrimidine
SMILESC[Si]1(C)c2ccccc2-c2nc(-c3ccccc3)nc(-c3cccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)c3)c21
InChIInChI=1S/C41H31N3Si/c1-45(2)37-24-13-12-23-34(37)39-40(45)38(43-41(44-39)30-19-10-5-11-20-30)32-22-14-21-31(25-32)36-27-33(28-15-6-3-7-16-28)26-35(42-36)29-17-8-4-9-18-29/h3-27H,1-2H3
InChIKeyPEYRRJKGTUYMGP-UHFFFAOYSA-N
MW593.81 g/mol
LogP9.01
Rot. Bonds5

About 4-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-5,5-dimethyl-2-phenyl-[1]benzosilolo[3,2-d]pyrimidine

4-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-5,5-dimethyl-2-phenyl-[1]benzosilolo[3,2-d]pyrimidine (PubChem CID 140747435) has the molecular formula C41H31N3Si and a molecular weight of 593.81 g/mol. Its IUPAC name is 4-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-5,5-dimethyl-2-phenyl-[1]benzosilolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-5,5-dimethyl-2-phenyl-[1]benzosilolo[3,2-d]pyrimidine
PubChem CID140747435
Molecular FormulaC41H31N3Si
Molecular Weight593.81 g/mol
Exact Mass593.23
IUPAC Name4-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-5,5-dimethyl-2-phenyl-[1]benzosilolo[3,2-d]pyrimidine
SMILESC[Si]1(C)c2ccccc2-c2nc(-c3ccccc3)nc(-c3cccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)c3)c21
InChIInChI=1S/C41H31N3Si/c1-45(2)37-24-13-12-23-34(37)39-40(45)38(43-41(44-39)30-19-10-5-11-20-30)32-22-14-21-31(25-32)36-27-33(28-15-6-3-7-16-28)26-35(42-36)29-17-8-4-9-18-29/h3-27H,1-2H3
InChIKeyPEYRRJKGTUYMGP-UHFFFAOYSA-N
XLogP9.01
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.81
LogP ≤ 59.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[3-[3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]phenyl]-5,5-dimethyl-2-phenyl-[1]benzosilolo[3,2-d]pyrimidine
CID 140747377
4-[3-(3,5-diphenylphenyl)phenyl]-5,5-dimethyl-2-[3-[3-(4-phenylphenyl)phenyl]phenyl]-[1]benzosilolo[3,2-d]pyrimidine
CID 140763959
5,5-dimethyl-4-[3-(3-phenylphenyl)phenyl]-2-[3-[3-(3-phenylphenyl)phenyl]phenyl]-[1]benzosilolo[3,2-d]pyrimidine
CID 140763874
4-(3,5-diphenylphenyl)-5,5-dimethyl-2-(4-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidine
CID 140763856
2-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-5,5-dimethyl-4-phenyl-[1]benzosilolo[3,2-d]pyrimidine
CID 140747498
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
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
[3-[3-(5,5-dimethyl-4-phenyl-[1]benzosilolo[3,2-d]pyrimidin-2-yl)phenyl]phenyl]-triphenylsilane
CID 140763865
2-[4-[3-[3-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)pyridine
CID 155787405
7-[3-[3-[5,5-dimethyl-4-(2-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidin-2-yl]phenyl]phenyl]-5,5-dimethyl-2-(2-phenylphenyl)-4-(4-phenylphenyl)-[1]benzosilolo[3,2-d]pyrimidine
CID 123486171
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
2-(3-dibenzofuran-4-ylphenyl)-5,5-dimethyl-4-[3-(3-phenylphenyl)phenyl]-[1]benzosilolo[3,2-d]pyrimidine
CID 154010464

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-5,5-dimethyl-2-phenyl-[1]benzosilolo[3,2-d]pyrimidine?
The IUPAC name of 4-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-5,5-dimethyl-2-phenyl-[1]benzosilolo[3,2-d]pyrimidine (CID 140747435) is 4-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-5,5-dimethyl-2-phenyl-[1]benzosilolo[3,2-d]pyrimidine.
What is the SMILES notation for 4-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-5,5-dimethyl-2-phenyl-[1]benzosilolo[3,2-d]pyrimidine?
The canonical SMILES for 4-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-5,5-dimethyl-2-phenyl-[1]benzosilolo[3,2-d]pyrimidine is C[Si]1(C)c2ccccc2-c2nc(-c3ccccc3)nc(-c3cccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)c3)c21.
What is the InChIKey of 4-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-5,5-dimethyl-2-phenyl-[1]benzosilolo[3,2-d]pyrimidine?
The InChIKey is PEYRRJKGTUYMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H31N3Si/c1-45(2)37-24-13-12-23-34(37)39-40(45)38(43-41(44-39)30-19-10-5-11-20-30)32-22-14-21-31(25-32)36-27-33(28-15-6-3-7-16-28)26-35(42-36)29-17-8-4-9-18-29/h3-27H,1-2H3.
What are the key properties of 4-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-5,5-dimethyl-2-phenyl-[1]benzosilolo[3,2-d]pyrimidine?
4-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-5,5-dimethyl-2-phenyl-[1]benzosilolo[3,2-d]pyrimidine has a molecular weight of 593.81 g/mol, XLogP of 9.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-5,5-dimethyl-2-phenyl-[1]benzosilolo[3,2-d]pyrimidine is sourced from PubChem (CID 140747435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).