[3-[2-(4-dibenzofuran-3-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane

C60H40N2OSi — CID 166588361

About [3-[2-(4-dibenzofuran-3-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane

[3-[2-(4-dibenzofuran-3-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane (PubChem CID 166588361) has the molecular formula C60H40N2OSi and a molecular weight of 833.08 g/mol. Its IUPAC name is [3-[2-(4-dibenzofuran-3-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane.

Molecular Properties

• Compound Name: [3-[2-(4-dibenzofuran-3-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
• PubChem CID: 166588361
• Molecular Formula: C60H40N2OSi
• Molecular Weight: 833.08 g/mol
• Exact Mass: 832.29
• IUPAC Name: [3-[2-(4-dibenzofuran-3-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
• SMILES: c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6c(-c7ccc8c(c7)oc7ccccc78)cccc65)cc43)c2)cc1
• InChI: InChI=1S/C60H40N2OSi/c1-4-19-44(20-5-1)64(45-21-6-2-7-22-45,46-23-8-3-9-24-46)47-25-16-18-42(39-47)62-54-30-13-10-26-49(54)50-37-35-43(40-57(50)62)61-55-31-14-11-28-53(55)60-48(29-17-32-56(60)61)41-34-36-52-51-27-12-15-33-58(51)63-59(52)38-41/h1-40H
• InChIKey: ZBHCZJQHDVCROB-UHFFFAOYSA-N
• XLogP: 12.82
• TPSA: 23.00 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	833.08
LogP ≤ 5	12.82
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 [3-[2-(4-dibenzofuran-3-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane?

The IUPAC name of [3-[2-(4-dibenzofuran-3-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane (CID 166588361) is [3-[2-(4-dibenzofuran-3-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane.

What is the SMILES notation for [3-[2-(4-dibenzofuran-3-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane?

The canonical SMILES for [3-[2-(4-dibenzofuran-3-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6c(-c7ccc8c(c7)oc7ccccc78)cccc65)cc43)c2)cc1.

What is the InChIKey of [3-[2-(4-dibenzofuran-3-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane?

The InChIKey is ZBHCZJQHDVCROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2OSi/c1-4-19-44(20-5-1)64(45-21-6-2-7-22-45,46-23-8-3-9-24-46)47-25-16-18-42(39-47)62-54-30-13-10-26-49(54)50-37-35-43(40-57(50)62)61-55-31-14-11-28-53(55)60-48(29-17-32-56(60)61)41-34-36-52-51-27-12-15-33-58(51)63-59(52)38-41/h1-40H.

What are the key properties of [3-[2-(4-dibenzofuran-3-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane?

[3-[2-(4-dibenzofuran-3-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane has a molecular weight of 833.08 g/mol, XLogP of 12.82, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[2-(4-dibenzofuran-3-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane is sourced from PubChem (CID 166588361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).