3-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-9H-carbazole

C26H21NSi — CID 156626575

IUPAC3-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-9H-carbazole
SMILESC[Si]1(C)c2ccccc2-c2ccc(-c3ccc4[nH]c5ccccc5c4c3)cc21
InChIInChI=1S/C26H21NSi/c1-28(2)25-10-6-4-8-20(25)21-13-11-18(16-26(21)28)17-12-14-24-22(15-17)19-7-3-5-9-23(19)27-24/h3-16,27H,1-2H3
InChIKeyUDGPCEWQEQOFHY-UHFFFAOYSA-N
MW375.55 g/mol
LogP5.79
Rot. Bonds1

About 3-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-9H-carbazole

3-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-9H-carbazole (PubChem CID 156626575) has the molecular formula C26H21NSi and a molecular weight of 375.55 g/mol. Its IUPAC name is 3-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-9H-carbazole.

Molecular Properties

Compound Name3-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-9H-carbazole
PubChem CID156626575
Molecular FormulaC26H21NSi
Molecular Weight375.55 g/mol
Exact Mass375.14
IUPAC Name3-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-9H-carbazole
SMILESC[Si]1(C)c2ccccc2-c2ccc(-c3ccc4[nH]c5ccccc5c4c3)cc21
InChIInChI=1S/C26H21NSi/c1-28(2)25-10-6-4-8-20(25)21-13-11-18(16-26(21)28)17-12-14-24-22(15-17)19-7-3-5-9-23(19)27-24/h3-16,27H,1-2H3
InChIKeyUDGPCEWQEQOFHY-UHFFFAOYSA-N
XLogP5.79
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.55
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-9H-carbazole?
The IUPAC name of 3-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-9H-carbazole (CID 156626575) is 3-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-9H-carbazole.
What is the SMILES notation for 3-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-9H-carbazole?
The canonical SMILES for 3-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-9H-carbazole is C[Si]1(C)c2ccccc2-c2ccc(-c3ccc4[nH]c5ccccc5c4c3)cc21.
What is the InChIKey of 3-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-9H-carbazole?
The InChIKey is UDGPCEWQEQOFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21NSi/c1-28(2)25-10-6-4-8-20(25)21-13-11-18(16-26(21)28)17-12-14-24-22(15-17)19-7-3-5-9-23(19)27-24/h3-16,27H,1-2H3.
What are the key properties of 3-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-9H-carbazole?
3-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-9H-carbazole has a molecular weight of 375.55 g/mol, XLogP of 5.79, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-9H-carbazole is sourced from PubChem (CID 156626575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).