2,4-di(dibenzofuran-4-yl)-9,9-dimethyl-[1]benzosilolo[2,3-d]pyrimidine

C36H24N2O2Si — CID 154010684

IUPAC2,4-di(dibenzofuran-4-yl)-9,9-dimethyl-[1]benzosilolo[2,3-d]pyrimidine
SMILESC[Si]1(C)c2ccccc2-c2c(-c3cccc4c3oc3ccccc34)nc(-c3cccc4c3oc3ccccc34)nc21
InChIInChI=1S/C36H24N2O2Si/c1-41(2)30-20-8-5-13-25(30)31-32(26-16-9-14-23-21-11-3-6-18-28(21)39-33(23)26)37-35(38-36(31)41)27-17-10-15-24-22-12-4-7-19-29(22)40-34(24)27/h3-20H,1-2H3
InChIKeySGDWWGRVZJBLCM-UHFFFAOYSA-N
MW544.69 g/mol
LogP8.41
Rot. Bonds2

About 2,4-di(dibenzofuran-4-yl)-9,9-dimethyl-[1]benzosilolo[2,3-d]pyrimidine

2,4-di(dibenzofuran-4-yl)-9,9-dimethyl-[1]benzosilolo[2,3-d]pyrimidine (PubChem CID 154010684) has the molecular formula C36H24N2O2Si and a molecular weight of 544.69 g/mol. Its IUPAC name is 2,4-di(dibenzofuran-4-yl)-9,9-dimethyl-[1]benzosilolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name2,4-di(dibenzofuran-4-yl)-9,9-dimethyl-[1]benzosilolo[2,3-d]pyrimidine
PubChem CID154010684
Molecular FormulaC36H24N2O2Si
Molecular Weight544.69 g/mol
Exact Mass544.16
IUPAC Name2,4-di(dibenzofuran-4-yl)-9,9-dimethyl-[1]benzosilolo[2,3-d]pyrimidine
SMILESC[Si]1(C)c2ccccc2-c2c(-c3cccc4c3oc3ccccc34)nc(-c3cccc4c3oc3ccccc34)nc21
InChIInChI=1S/C36H24N2O2Si/c1-41(2)30-20-8-5-13-25(30)31-32(26-16-9-14-23-21-11-3-6-18-28(21)39-33(23)26)37-35(38-36(31)41)27-17-10-15-24-22-12-4-7-19-29(22)40-34(24)27/h3-20H,1-2H3
InChIKeySGDWWGRVZJBLCM-UHFFFAOYSA-N
XLogP8.41
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.69
LogP ≤ 58.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-dibenzofuran-4-yl-9,9-dimethyl-2-[3-[3-(4-phenylphenyl)phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;4-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-2-[3-[3-(4-phenylphenyl)phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;2-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine
CID 158862428
2-(3-dibenzofuran-4-ylphenyl)-5,5-dimethyl-4-[3-(3-phenylphenyl)phenyl]-[1]benzosilolo[3,2-d]pyrimidine
CID 154010464
2,4-di(dibenzofuran-4-yl)-6-(2,3,4-triphenylphenyl)-1,3,5-triazine
CID 167349521
2,4-di(dibenzofuran-4-yl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 163620133
2,4-di(dibenzofuran-4-yl)-6-[2-phenyl-3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 167349302
2,4-di(dibenzofuran-4-yl)-5-ethenyl-6-(2-methylphenyl)pyrimidine
CID 175626911
2-(9,9-dimethyl-20-oxa-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-12-yl)-4,6-dinaphthalen-1-yl-1,3,5-triazine
CID 167410185
12-[2-(9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-a]carbazole
CID 140805651
2-dibenzofuran-1-yl-5,5-dimethyl-4-[3-[3-(4-phenylphenyl)phenyl]phenyl]-[1]benzosilolo[3,2-d]pyrimidine;2-dibenzothiophen-1-yl-5,5-dimethyl-4-[3-[3-(4-phenylphenyl)phenyl]phenyl]-[1]benzosilolo[3,2-d]pyrimidine;2,4-di(dibenzofuran-4-yl)-5,5-dimethyl-[1]benzosilolo[3,2-d]pyrimidine
CID 159052658
2-[3-[3-[3-(9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidin-2-yl)phenyl]phenyl]phenyl]-1,3-benzoxazole
CID 140747446
9,9-dimethyl-2,4-bis(3-phenylphenyl)-[1]benzosilolo[2,3-d]pyrimidine
CID 123442715
2-[3-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine
CID 140763872

Frequently Asked Questions

What is the IUPAC name of 2,4-di(dibenzofuran-4-yl)-9,9-dimethyl-[1]benzosilolo[2,3-d]pyrimidine?
The IUPAC name of 2,4-di(dibenzofuran-4-yl)-9,9-dimethyl-[1]benzosilolo[2,3-d]pyrimidine (CID 154010684) is 2,4-di(dibenzofuran-4-yl)-9,9-dimethyl-[1]benzosilolo[2,3-d]pyrimidine.
What is the SMILES notation for 2,4-di(dibenzofuran-4-yl)-9,9-dimethyl-[1]benzosilolo[2,3-d]pyrimidine?
The canonical SMILES for 2,4-di(dibenzofuran-4-yl)-9,9-dimethyl-[1]benzosilolo[2,3-d]pyrimidine is C[Si]1(C)c2ccccc2-c2c(-c3cccc4c3oc3ccccc34)nc(-c3cccc4c3oc3ccccc34)nc21.
What is the InChIKey of 2,4-di(dibenzofuran-4-yl)-9,9-dimethyl-[1]benzosilolo[2,3-d]pyrimidine?
The InChIKey is SGDWWGRVZJBLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N2O2Si/c1-41(2)30-20-8-5-13-25(30)31-32(26-16-9-14-23-21-11-3-6-18-28(21)39-33(23)26)37-35(38-36(31)41)27-17-10-15-24-22-12-4-7-19-29(22)40-34(24)27/h3-20H,1-2H3.
What are the key properties of 2,4-di(dibenzofuran-4-yl)-9,9-dimethyl-[1]benzosilolo[2,3-d]pyrimidine?
2,4-di(dibenzofuran-4-yl)-9,9-dimethyl-[1]benzosilolo[2,3-d]pyrimidine has a molecular weight of 544.69 g/mol, XLogP of 8.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(dibenzofuran-4-yl)-9,9-dimethyl-[1]benzosilolo[2,3-d]pyrimidine is sourced from PubChem (CID 154010684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).