dibenzothiophen-4-yl-diphenyl-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]phenyl]silane

C66H44N2SSi — CID 89397676

About dibenzothiophen-4-yl-diphenyl-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]phenyl]silane

dibenzothiophen-4-yl-diphenyl-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]phenyl]silane (PubChem CID 89397676) has the molecular formula C66H44N2SSi and a molecular weight of 925.25 g/mol. Its IUPAC name is dibenzothiophen-4-yl-diphenyl-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]phenyl]silane.

Molecular Properties

• Compound Name: dibenzothiophen-4-yl-diphenyl-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]phenyl]silane
• PubChem CID: 89397676
• Molecular Formula: C66H44N2SSi
• Molecular Weight: 925.25 g/mol
• Exact Mass: 924.30
• IUPAC Name: dibenzothiophen-4-yl-diphenyl-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]phenyl]silane
• SMILES: c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6cccc([Si](c7ccccc7)(c7ccccc7)c7cccc8c7sc7ccccc78)c6)ccc4n5-c4ccccc4)ccc32)cc1
• InChI: InChI=1S/C66H44N2SSi/c1-5-20-49(21-6-1)67-60-32-15-13-29-54(60)57-42-47(36-38-61(57)67)48-37-40-63-59(44-48)58-43-46(35-39-62(58)68(63)50-22-7-2-8-23-50)45-19-17-28-53(41-45)70(51-24-9-3-10-25-51,52-26-11-4-12-27-52)65-34-18-31-56-55-30-14-16-33-64(55)69-66(56)65/h1-44H
• InChIKey: QUVWGEWMDLYHCO-UHFFFAOYSA-N
• XLogP: 14.96
• TPSA: 9.86 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	925.25
LogP ≤ 5	14.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of dibenzothiophen-4-yl-diphenyl-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]phenyl]silane?

The IUPAC name of dibenzothiophen-4-yl-diphenyl-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]phenyl]silane (CID 89397676) is dibenzothiophen-4-yl-diphenyl-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]phenyl]silane.

What is the SMILES notation for dibenzothiophen-4-yl-diphenyl-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]phenyl]silane?

The canonical SMILES for dibenzothiophen-4-yl-diphenyl-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]phenyl]silane is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6cccc([Si](c7ccccc7)(c7ccccc7)c7cccc8c7sc7ccccc78)c6)ccc4n5-c4ccccc4)ccc32)cc1.

What is the InChIKey of dibenzothiophen-4-yl-diphenyl-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]phenyl]silane?

The InChIKey is QUVWGEWMDLYHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H44N2SSi/c1-5-20-49(21-6-1)67-60-32-15-13-29-54(60)57-42-47(36-38-61(57)67)48-37-40-63-59(44-48)58-43-46(35-39-62(58)68(63)50-22-7-2-8-23-50)45-19-17-28-53(41-45)70(51-24-9-3-10-25-51,52-26-11-4-12-27-52)65-34-18-31-56-55-30-14-16-33-64(55)69-66(56)65/h1-44H.

What are the key properties of dibenzothiophen-4-yl-diphenyl-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]phenyl]silane?

dibenzothiophen-4-yl-diphenyl-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]phenyl]silane has a molecular weight of 925.25 g/mol, XLogP of 14.96, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for dibenzothiophen-4-yl-diphenyl-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]phenyl]silane is sourced from PubChem (CID 89397676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).