1-(4-tert-butylnaphthalen-2-yl)-[1]benzosilolo[2,3-c]pyridine 9-oxide

C25H21NOSi — CID 172528319

IUPAC1-(4-tert-butylnaphthalen-2-yl)-[1]benzosilolo[2,3-c]pyridine 9-oxide
SMILESCC(C)(C)c1cc(-c2nccc3c2[Si](=O)c2ccccc2-3)cc2ccccc12
InChIInChI=1S/C25H21NOSi/c1-25(2,3)21-15-17(14-16-8-4-5-9-18(16)21)23-24-20(12-13-26-23)19-10-6-7-11-22(19)28(24)27/h4-15H,1-3H3
InChIKeyOYRRYJNDECYDJB-UHFFFAOYSA-N
MW379.54 g/mol
LogP4.72
Rot. Bonds1

About 1-(4-tert-butylnaphthalen-2-yl)-[1]benzosilolo[2,3-c]pyridine 9-oxide

1-(4-tert-butylnaphthalen-2-yl)-[1]benzosilolo[2,3-c]pyridine 9-oxide (PubChem CID 172528319) has the molecular formula C25H21NOSi and a molecular weight of 379.54 g/mol. Its IUPAC name is 1-(4-tert-butylnaphthalen-2-yl)-[1]benzosilolo[2,3-c]pyridine 9-oxide.

Molecular Properties

Compound Name1-(4-tert-butylnaphthalen-2-yl)-[1]benzosilolo[2,3-c]pyridine 9-oxide
PubChem CID172528319
Molecular FormulaC25H21NOSi
Molecular Weight379.54 g/mol
Exact Mass379.14
IUPAC Name1-(4-tert-butylnaphthalen-2-yl)-[1]benzosilolo[2,3-c]pyridine 9-oxide
SMILESCC(C)(C)c1cc(-c2nccc3c2[Si](=O)c2ccccc2-3)cc2ccccc12
InChIInChI=1S/C25H21NOSi/c1-25(2,3)21-15-17(14-16-8-4-5-9-18(16)21)23-24-20(12-13-26-23)19-10-6-7-11-22(19)28(24)27/h4-15H,1-3H3
InChIKeyOYRRYJNDECYDJB-UHFFFAOYSA-N
XLogP4.72
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.54
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4-tert-butylnaphthalen-2-yl)-[1]benzosilolo[2,3-c]pyridine 9-oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-tert-butylnaphthalen-2-yl)-6-(2,4-dimethyl-3-propan-2-ylpentan-3-yl)isoquinoline
CID 172542924
7-(4-tert-butylnaphthalen-2-yl)-2-thieno[2,3-b]pyridin-4-ylthieno[2,3-c]pyridine
CID 171717853
7-(4-tert-butylnaphthalen-2-yl)-2,3-dimethylthieno[2,3-c]pyridine
CID 168852963
7-(4-tert-butylnaphthalen-2-yl)-2-iodofuro[2,3-c]pyridine
CID 170660676
7-(4-tert-butylnaphthalen-2-yl)-3-pyridin-4-ylthieno[2,3-c]pyridine
CID 171581583
15-(4-tert-butylnaphthalen-2-yl)-17-oxa-6,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaene
CID 171581179
9-(4-tert-butylnaphthalen-2-yl)-4-(2,2-dimethylpropyl)-5,7-diselena-3,10-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9,11-pentaene
CID 167427597
[1-(4-tert-butylnaphthalen-2-yl)-9,9-dimethyl-[1]benzosilolo[2,3-c]pyridin-7-yl]-trimethylgermane
CID 171747954
4-(4-tert-butylnaphthalen-2-yl)-2-thieno[2,3-c]pyridin-7-ylthieno[3,2-c]pyridine
CID 171717994
7-(4-tert-butylnaphthalen-2-yl)-2-iodo-3-methylfuro[2,3-c]pyridine
CID 170660648
[4-[1-(4-tert-butylnaphthalen-2-yl)-[1]benzofuro[3,2-c]pyridin-6-yl]phenyl]-trimethylsilane
CID 171764340
4-(4-tert-butylnaphthalen-2-yl)-8-propan-2-yl-5,6-dihydro-3,7-phenanthroline
CID 171450326

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylnaphthalen-2-yl)-[1]benzosilolo[2,3-c]pyridine 9-oxide?
The IUPAC name of 1-(4-tert-butylnaphthalen-2-yl)-[1]benzosilolo[2,3-c]pyridine 9-oxide (CID 172528319) is 1-(4-tert-butylnaphthalen-2-yl)-[1]benzosilolo[2,3-c]pyridine 9-oxide.
What is the SMILES notation for 1-(4-tert-butylnaphthalen-2-yl)-[1]benzosilolo[2,3-c]pyridine 9-oxide?
The canonical SMILES for 1-(4-tert-butylnaphthalen-2-yl)-[1]benzosilolo[2,3-c]pyridine 9-oxide is CC(C)(C)c1cc(-c2nccc3c2[Si](=O)c2ccccc2-3)cc2ccccc12.
What is the InChIKey of 1-(4-tert-butylnaphthalen-2-yl)-[1]benzosilolo[2,3-c]pyridine 9-oxide?
The InChIKey is OYRRYJNDECYDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NOSi/c1-25(2,3)21-15-17(14-16-8-4-5-9-18(16)21)23-24-20(12-13-26-23)19-10-6-7-11-22(19)28(24)27/h4-15H,1-3H3.
What are the key properties of 1-(4-tert-butylnaphthalen-2-yl)-[1]benzosilolo[2,3-c]pyridine 9-oxide?
1-(4-tert-butylnaphthalen-2-yl)-[1]benzosilolo[2,3-c]pyridine 9-oxide has a molecular weight of 379.54 g/mol, XLogP of 4.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylnaphthalen-2-yl)-[1]benzosilolo[2,3-c]pyridine 9-oxide is sourced from PubChem (CID 172528319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).