9-[8-(5,10,10-triphenylbenzo[b][1]benzosilin-5-yl)dibenzofuran-2-yl]carbazole

C55H37NOSi — CID 58389814

About 9-[8-(5,10,10-triphenylbenzo[b][1]benzosilin-5-yl)dibenzofuran-2-yl]carbazole

9-[8-(5,10,10-triphenylbenzo[b][1]benzosilin-5-yl)dibenzofuran-2-yl]carbazole (PubChem CID 58389814) has the molecular formula C55H37NOSi and a molecular weight of 755.99 g/mol. Its IUPAC name is 9-[8-(5,10,10-triphenylbenzo[b][1]benzosilin-5-yl)dibenzofuran-2-yl]carbazole.

Molecular Properties

• Compound Name: 9-[8-(5,10,10-triphenylbenzo[b][1]benzosilin-5-yl)dibenzofuran-2-yl]carbazole
• PubChem CID: 58389814
• Molecular Formula: C55H37NOSi
• Molecular Weight: 755.99 g/mol
• Exact Mass: 755.26
• IUPAC Name: 9-[8-(5,10,10-triphenylbenzo[b][1]benzosilin-5-yl)dibenzofuran-2-yl]carbazole
• SMILES: c1ccc(C2(c3ccccc3)c3ccccc3[Si](c3ccccc3)(c3ccc4oc5ccc(-n6c7ccccc7c7ccccc76)cc5c4c3)c3ccccc32)cc1
• InChI: InChI=1S/C55H37NOSi/c1-4-18-38(19-5-1)55(39-20-6-2-7-21-39)47-26-12-16-30-53(47)58(41-22-8-3-9-23-41,54-31-17-13-27-48(54)55)42-33-35-52-46(37-42)45-36-40(32-34-51(45)57-52)56-49-28-14-10-24-43(49)44-25-11-15-29-50(44)56/h1-37H
• InChIKey: IXYSUNFULNDXAF-UHFFFAOYSA-N
• XLogP: 10.76
• TPSA: 18.07 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	755.99
LogP ≤ 5	10.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[8-(5,10,10-triphenylbenzo[b][1]benzosilin-5-yl)dibenzofuran-2-yl]carbazole?

The IUPAC name of 9-[8-(5,10,10-triphenylbenzo[b][1]benzosilin-5-yl)dibenzofuran-2-yl]carbazole (CID 58389814) is 9-[8-(5,10,10-triphenylbenzo[b][1]benzosilin-5-yl)dibenzofuran-2-yl]carbazole.

What is the SMILES notation for 9-[8-(5,10,10-triphenylbenzo[b][1]benzosilin-5-yl)dibenzofuran-2-yl]carbazole?

The canonical SMILES for 9-[8-(5,10,10-triphenylbenzo[b][1]benzosilin-5-yl)dibenzofuran-2-yl]carbazole is c1ccc(C2(c3ccccc3)c3ccccc3[Si](c3ccccc3)(c3ccc4oc5ccc(-n6c7ccccc7c7ccccc76)cc5c4c3)c3ccccc32)cc1.

What is the InChIKey of 9-[8-(5,10,10-triphenylbenzo[b][1]benzosilin-5-yl)dibenzofuran-2-yl]carbazole?

The InChIKey is IXYSUNFULNDXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37NOSi/c1-4-18-38(19-5-1)55(39-20-6-2-7-21-39)47-26-12-16-30-53(47)58(41-22-8-3-9-23-41,54-31-17-13-27-48(54)55)42-33-35-52-46(37-42)45-36-40(32-34-51(45)57-52)56-49-28-14-10-24-43(49)44-25-11-15-29-50(44)56/h1-37H.

What are the key properties of 9-[8-(5,10,10-triphenylbenzo[b][1]benzosilin-5-yl)dibenzofuran-2-yl]carbazole?

9-[8-(5,10,10-triphenylbenzo[b][1]benzosilin-5-yl)dibenzofuran-2-yl]carbazole has a molecular weight of 755.99 g/mol, XLogP of 10.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[8-(5,10,10-triphenylbenzo[b][1]benzosilin-5-yl)dibenzofuran-2-yl]carbazole is sourced from PubChem (CID 58389814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).