2-[3-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)phenyl]pyridine

C25H21NSi — CID 153423347

IUPAC2-[3-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)phenyl]pyridine
SMILESC[Si]1(C)c2ccccc2-c2ccc(-c3cccc(-c4ccccn4)c3)cc21
InChIInChI=1S/C25H21NSi/c1-27(2)24-12-4-3-10-21(24)22-14-13-19(17-25(22)27)18-8-7-9-20(16-18)23-11-5-6-15-26-23/h3-17H,1-2H3
InChIKeyKKBCEWMBGXDTDI-UHFFFAOYSA-N
MW363.54 g/mol
LogP5.22
Rot. Bonds2

About 2-[3-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)phenyl]pyridine

2-[3-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)phenyl]pyridine (PubChem CID 153423347) has the molecular formula C25H21NSi and a molecular weight of 363.54 g/mol. Its IUPAC name is 2-[3-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)phenyl]pyridine.

Molecular Properties

Compound Name2-[3-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)phenyl]pyridine
PubChem CID153423347
Molecular FormulaC25H21NSi
Molecular Weight363.54 g/mol
Exact Mass363.14
IUPAC Name2-[3-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)phenyl]pyridine
SMILESC[Si]1(C)c2ccccc2-c2ccc(-c3cccc(-c4ccccn4)c3)cc21
InChIInChI=1S/C25H21NSi/c1-27(2)24-12-4-3-10-21(24)22-14-13-19(17-25(22)27)18-8-7-9-20(16-18)23-11-5-6-15-26-23/h3-17H,1-2H3
InChIKeyKKBCEWMBGXDTDI-UHFFFAOYSA-N
XLogP5.22
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.54
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[4-[4-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 171461302
3-(3-chlorophenyl)-5,5-dimethylbenzo[b][1]benzosilole
CID 174329879
2-[3-(3-phenylphenyl)-4-[2-[3-[2-[2-(3-phenylphenyl)-4-pyridin-2-ylphenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 153434547
2-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]pyridine
CID 153423317
2-[3-(2-phenylphenyl)phenyl]pyridine
CID 59403973
2-[4-[3-[3-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)pyridine
CID 155787405
3-(4-chlorophenyl)-5,5-dimethylbenzo[b][1]benzosilole
CID 155787081
4-(3-pyridin-2-ylphenyl)-2-[4-(3-pyridin-2-ylphenyl)-2-pyridinyl]pyridine
CID 130326866
2-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]pyridine
CID 153423472
2-[3-ethyl-4-[2-[3-[2-(2-ethyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine
CID 153434537
2-(5,5-dimethyl-3-phenylbenzo[b][1]benzosilol-8-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 155787127
2-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-4-(4-naphthalen-1-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 157199646

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)phenyl]pyridine?
The IUPAC name of 2-[3-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)phenyl]pyridine (CID 153423347) is 2-[3-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)phenyl]pyridine.
What is the SMILES notation for 2-[3-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)phenyl]pyridine?
The canonical SMILES for 2-[3-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)phenyl]pyridine is C[Si]1(C)c2ccccc2-c2ccc(-c3cccc(-c4ccccn4)c3)cc21.
What is the InChIKey of 2-[3-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)phenyl]pyridine?
The InChIKey is KKBCEWMBGXDTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NSi/c1-27(2)24-12-4-3-10-21(24)22-14-13-19(17-25(22)27)18-8-7-9-20(16-18)23-11-5-6-15-26-23/h3-17H,1-2H3.
What are the key properties of 2-[3-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)phenyl]pyridine?
2-[3-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)phenyl]pyridine has a molecular weight of 363.54 g/mol, XLogP of 5.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)phenyl]pyridine is sourced from PubChem (CID 153423347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).