9,9-dimethyl-2,4-diphenyl-[1]benzosilolo[2,3-d]pyrimidine

C24H20N2Si — CID 140763756

IUPAC9,9-dimethyl-2,4-diphenyl-[1]benzosilolo[2,3-d]pyrimidine
SMILESC[Si]1(C)c2ccccc2-c2c(-c3ccccc3)nc(-c3ccccc3)nc21
InChIInChI=1S/C24H20N2Si/c1-27(2)20-16-10-9-15-19(20)21-22(17-11-5-3-6-12-17)25-23(26-24(21)27)18-13-7-4-8-14-18/h3-16H,1-2H3
InChIKeyKYOCYWDNRJSLNG-UHFFFAOYSA-N
MW364.52 g/mol
LogP4.61
Rot. Bonds2

About 9,9-dimethyl-2,4-diphenyl-[1]benzosilolo[2,3-d]pyrimidine

9,9-dimethyl-2,4-diphenyl-[1]benzosilolo[2,3-d]pyrimidine (PubChem CID 140763756) has the molecular formula C24H20N2Si and a molecular weight of 364.52 g/mol. Its IUPAC name is 9,9-dimethyl-2,4-diphenyl-[1]benzosilolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name9,9-dimethyl-2,4-diphenyl-[1]benzosilolo[2,3-d]pyrimidine
PubChem CID140763756
Molecular FormulaC24H20N2Si
Molecular Weight364.52 g/mol
Exact Mass364.14
IUPAC Name9,9-dimethyl-2,4-diphenyl-[1]benzosilolo[2,3-d]pyrimidine
SMILESC[Si]1(C)c2ccccc2-c2c(-c3ccccc3)nc(-c3ccccc3)nc21
InChIInChI=1S/C24H20N2Si/c1-27(2)20-16-10-9-15-19(20)21-22(17-11-5-3-6-12-17)25-23(26-24(21)27)18-13-7-4-8-14-18/h3-16H,1-2H3
InChIKeyKYOCYWDNRJSLNG-UHFFFAOYSA-N
XLogP4.61
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.52
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine
CID 140763872
2-[3-[3-(3,5-diphenylphenyl)-5-phenylphenyl]phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine
CID 140763811
9,9-dimethyl-2-[3-(3-phenylphenyl)phenyl]-4-[4-(3-phenylphenyl)phenyl]-[1]benzosilolo[2,3-d]pyrimidine
CID 140763843
9,9-dimethyl-2,4-bis(3-phenylphenyl)-[1]benzosilolo[2,3-d]pyrimidine
CID 123442715
2-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine
CID 140747429
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
9,9-dimethyl-2,4-bis[3-[3-(4-phenylphenyl)phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine
CID 140763831
2-[3-[4-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-9,9-dimethyl-4-(3-phenylphenyl)-[1]benzosilolo[2,3-d]pyrimidine
CID 140763791
2-(4-carbazol-9-ylphenyl)-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine
CID 154010624
9,9-dimethyl-4-phenyl-2-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-[1]benzosilolo[2,3-d]pyrimidine
CID 140805344
9,9-dimethyl-4-phenyl-2-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-phenyl-2-[3-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-phenyl-2-[3-[3-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-phenyl-2-[3-[3-[3-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine
CID 157241868
2-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine
CID 154010703

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-2,4-diphenyl-[1]benzosilolo[2,3-d]pyrimidine?
The IUPAC name of 9,9-dimethyl-2,4-diphenyl-[1]benzosilolo[2,3-d]pyrimidine (CID 140763756) is 9,9-dimethyl-2,4-diphenyl-[1]benzosilolo[2,3-d]pyrimidine.
What is the SMILES notation for 9,9-dimethyl-2,4-diphenyl-[1]benzosilolo[2,3-d]pyrimidine?
The canonical SMILES for 9,9-dimethyl-2,4-diphenyl-[1]benzosilolo[2,3-d]pyrimidine is C[Si]1(C)c2ccccc2-c2c(-c3ccccc3)nc(-c3ccccc3)nc21.
What is the InChIKey of 9,9-dimethyl-2,4-diphenyl-[1]benzosilolo[2,3-d]pyrimidine?
The InChIKey is KYOCYWDNRJSLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2Si/c1-27(2)20-16-10-9-15-19(20)21-22(17-11-5-3-6-12-17)25-23(26-24(21)27)18-13-7-4-8-14-18/h3-16H,1-2H3.
What are the key properties of 9,9-dimethyl-2,4-diphenyl-[1]benzosilolo[2,3-d]pyrimidine?
9,9-dimethyl-2,4-diphenyl-[1]benzosilolo[2,3-d]pyrimidine has a molecular weight of 364.52 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-2,4-diphenyl-[1]benzosilolo[2,3-d]pyrimidine is sourced from PubChem (CID 140763756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).