3-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-9-(11,11-dimethylnaphtho[1,2-b][1]benzosilol-2-yl)carbazole

C54H35NOSSi — CID 156626565

About 3-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-9-(11,11-dimethylnaphtho[1,2-b][1]benzosilol-2-yl)carbazole

3-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-9-(11,11-dimethylnaphtho[1,2-b][1]benzosilol-2-yl)carbazole (PubChem CID 156626565) has the molecular formula C54H35NOSSi and a molecular weight of 774.03 g/mol. Its IUPAC name is 3-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-9-(11,11-dimethylnaphtho[1,2-b][1]benzosilol-2-yl)carbazole.

Molecular Properties

• Compound Name: 3-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-9-(11,11-dimethylnaphtho[1,2-b][1]benzosilol-2-yl)carbazole
• PubChem CID: 156626565
• Molecular Formula: C54H35NOSSi
• Molecular Weight: 774.03 g/mol
• Exact Mass: 773.22
• IUPAC Name: 3-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-9-(11,11-dimethylnaphtho[1,2-b][1]benzosilol-2-yl)carbazole
• SMILES: C[Si]1(C)c2ccccc2-c2ccc3ccc(-n4c5ccccc5c5cc(-c6ccc7oc8c(-c9cccc%10c9sc9ccccc9%10)cccc8c7c6)ccc54)cc3c21
• InChI: InChI=1S/C54H35NOSSi/c1-58(2)51-20-8-5-13-38(51)43-26-22-32-21-25-35(31-44(32)54(43)58)55-47-18-6-3-11-36(47)45-29-33(23-27-48(45)55)34-24-28-49-46(30-34)40-15-9-14-39(52(40)56-49)42-17-10-16-41-37-12-4-7-19-50(37)57-53(41)42/h3-31H,1-2H3
• InChIKey: LCHSGCVLUHYMPQ-UHFFFAOYSA-N
• XLogP: 14.34
• TPSA: 18.07 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	774.03
LogP ≤ 5	14.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-9-(11,11-dimethylnaphtho[1,2-b][1]benzosilol-2-yl)carbazole?

The IUPAC name of 3-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-9-(11,11-dimethylnaphtho[1,2-b][1]benzosilol-2-yl)carbazole (CID 156626565) is 3-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-9-(11,11-dimethylnaphtho[1,2-b][1]benzosilol-2-yl)carbazole.

What is the SMILES notation for 3-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-9-(11,11-dimethylnaphtho[1,2-b][1]benzosilol-2-yl)carbazole?

The canonical SMILES for 3-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-9-(11,11-dimethylnaphtho[1,2-b][1]benzosilol-2-yl)carbazole is C[Si]1(C)c2ccccc2-c2ccc3ccc(-n4c5ccccc5c5cc(-c6ccc7oc8c(-c9cccc%10c9sc9ccccc9%10)cccc8c7c6)ccc54)cc3c21.

What is the InChIKey of 3-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-9-(11,11-dimethylnaphtho[1,2-b][1]benzosilol-2-yl)carbazole?

The InChIKey is LCHSGCVLUHYMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35NOSSi/c1-58(2)51-20-8-5-13-38(51)43-26-22-32-21-25-35(31-44(32)54(43)58)55-47-18-6-3-11-36(47)45-29-33(23-27-48(45)55)34-24-28-49-46(30-34)40-15-9-14-39(52(40)56-49)42-17-10-16-41-37-12-4-7-19-50(37)57-53(41)42/h3-31H,1-2H3.

What are the key properties of 3-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-9-(11,11-dimethylnaphtho[1,2-b][1]benzosilol-2-yl)carbazole?

3-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-9-(11,11-dimethylnaphtho[1,2-b][1]benzosilol-2-yl)carbazole has a molecular weight of 774.03 g/mol, XLogP of 14.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-9-(11,11-dimethylnaphtho[1,2-b][1]benzosilol-2-yl)carbazole is sourced from PubChem (CID 156626565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).