6-(4-tert-butylnaphthalen-2-yl)-11,11-dimethyl-[1]benzosilolo[3,2-c]quinoline

C31H29NSi — CID 167354672

IUPAC6-(4-tert-butylnaphthalen-2-yl)-11,11-dimethyl-[1]benzosilolo[3,2-c]quinoline
SMILESCC(C)(C)c1cc(-c2nc3ccccc3c3c2-c2ccccc2[Si]3(C)C)cc2ccccc12
InChIInChI=1S/C31H29NSi/c1-31(2,3)25-19-21(18-20-12-6-7-13-22(20)25)29-28-24-15-9-11-17-27(24)33(4,5)30(28)23-14-8-10-16-26(23)32-29/h6-19H,1-5H3
InChIKeyPKLIZGFHYWVITN-UHFFFAOYSA-N
MW443.67 g/mol
LogP7.16
Rot. Bonds1

About 6-(4-tert-butylnaphthalen-2-yl)-11,11-dimethyl-[1]benzosilolo[3,2-c]quinoline

6-(4-tert-butylnaphthalen-2-yl)-11,11-dimethyl-[1]benzosilolo[3,2-c]quinoline (PubChem CID 167354672) has the molecular formula C31H29NSi and a molecular weight of 443.67 g/mol. Its IUPAC name is 6-(4-tert-butylnaphthalen-2-yl)-11,11-dimethyl-[1]benzosilolo[3,2-c]quinoline.

Molecular Properties

Compound Name6-(4-tert-butylnaphthalen-2-yl)-11,11-dimethyl-[1]benzosilolo[3,2-c]quinoline
PubChem CID167354672
Molecular FormulaC31H29NSi
Molecular Weight443.67 g/mol
Exact Mass443.21
IUPAC Name6-(4-tert-butylnaphthalen-2-yl)-11,11-dimethyl-[1]benzosilolo[3,2-c]quinoline
SMILESCC(C)(C)c1cc(-c2nc3ccccc3c3c2-c2ccccc2[Si]3(C)C)cc2ccccc12
InChIInChI=1S/C31H29NSi/c1-31(2,3)25-19-21(18-20-12-6-7-13-22(20)25)29-28-24-15-9-11-17-27(24)33(4,5)30(28)23-14-8-10-16-26(23)32-29/h6-19H,1-5H3
InChIKeyPKLIZGFHYWVITN-UHFFFAOYSA-N
XLogP7.16
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.67
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-(4-tert-butylnaphthalen-2-yl)-11,11-dimethyl-[1]benzosilolo[3,2-c]quinoline with MolForge

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Related Compounds

6-(4-tert-butylnaphthalen-2-yl)-11,11-dimethylindeno[1,2-c]quinoline
CID 167354477
[1-(4-tert-butylnaphthalen-2-yl)-9,9-dimethyl-[1]benzosilolo[2,3-c]pyridin-7-yl]-trimethylgermane
CID 171747954
6-(4-tert-butylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]quinoline
CID 167354335
4-(4-tert-butylnaphthalen-2-yl)-2,3-dimethylfuro[3,2-c]quinoline
CID 166570041
[4-[1-(4-tert-butylnaphthalen-2-yl)-9,9-dimethyl-[1]benzosilolo[2,3-c]pyridin-7-yl]-3-methylphenyl]-trimethylgermane
CID 171747913
2-[2-(4-tert-butylnaphthalen-2-yl)quinolin-4-yl]-4-methyl-1,3-thiazole
CID 156665321
4-(4-tert-butylnaphthalen-2-yl)benzo[g]pteridine
CID 156629468
6-(4-tert-butylnaphthalen-2-yl)-8-propan-2-yl-[1]benzothiolo[3,2-c]quinoline
CID 167354676
8-(4-tert-butylnaphthalen-2-yl)-4,11-dimethyl-3,12-dioxa-7-azatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,10-pentaene
CID 172520345
3,3,24,24-tetramethyl-7-naphthalen-2-yl-3,24-disilahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene
CID 171742945
6-(4-tert-butylnaphthalen-2-yl)-4-(4-phenylphenyl)-3-(trideuteriomethyl)pyridazine
CID 166501434
2-(4-tert-butylnaphthalen-2-yl)-4,5-dimethylquinoline
CID 134387972

Frequently Asked Questions

What is the IUPAC name of 6-(4-tert-butylnaphthalen-2-yl)-11,11-dimethyl-[1]benzosilolo[3,2-c]quinoline?
The IUPAC name of 6-(4-tert-butylnaphthalen-2-yl)-11,11-dimethyl-[1]benzosilolo[3,2-c]quinoline (CID 167354672) is 6-(4-tert-butylnaphthalen-2-yl)-11,11-dimethyl-[1]benzosilolo[3,2-c]quinoline.
What is the SMILES notation for 6-(4-tert-butylnaphthalen-2-yl)-11,11-dimethyl-[1]benzosilolo[3,2-c]quinoline?
The canonical SMILES for 6-(4-tert-butylnaphthalen-2-yl)-11,11-dimethyl-[1]benzosilolo[3,2-c]quinoline is CC(C)(C)c1cc(-c2nc3ccccc3c3c2-c2ccccc2[Si]3(C)C)cc2ccccc12.
What is the InChIKey of 6-(4-tert-butylnaphthalen-2-yl)-11,11-dimethyl-[1]benzosilolo[3,2-c]quinoline?
The InChIKey is PKLIZGFHYWVITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29NSi/c1-31(2,3)25-19-21(18-20-12-6-7-13-22(20)25)29-28-24-15-9-11-17-27(24)33(4,5)30(28)23-14-8-10-16-26(23)32-29/h6-19H,1-5H3.
What are the key properties of 6-(4-tert-butylnaphthalen-2-yl)-11,11-dimethyl-[1]benzosilolo[3,2-c]quinoline?
6-(4-tert-butylnaphthalen-2-yl)-11,11-dimethyl-[1]benzosilolo[3,2-c]quinoline has a molecular weight of 443.67 g/mol, XLogP of 7.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-tert-butylnaphthalen-2-yl)-11,11-dimethyl-[1]benzosilolo[3,2-c]quinoline is sourced from PubChem (CID 167354672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).