[3-[3-(4-dibenzofuran-1-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane

C60H40N2OSi — CID 166588993

About [3-[3-(4-dibenzofuran-1-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane

[3-[3-(4-dibenzofuran-1-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane (PubChem CID 166588993) has the molecular formula C60H40N2OSi and a molecular weight of 833.08 g/mol. Its IUPAC name is [3-[3-(4-dibenzofuran-1-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane.

Molecular Properties

• Compound Name: [3-[3-(4-dibenzofuran-1-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
• PubChem CID: 166588993
• Molecular Formula: C60H40N2OSi
• Molecular Weight: 833.08 g/mol
• Exact Mass: 832.29
• IUPAC Name: [3-[3-(4-dibenzofuran-1-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
• SMILES: c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6c(-c7cccc8oc9ccccc9c78)cccc65)ccc43)c2)cc1
• InChI: InChI=1S/C60H40N2OSi/c1-4-20-43(21-5-1)64(44-22-6-2-7-23-44,45-24-8-3-9-25-45)46-26-16-19-41(39-46)61-53-32-13-10-27-47(53)52-40-42(37-38-55(52)61)62-54-33-14-11-28-50(54)59-48(30-17-34-56(59)62)49-31-18-36-58-60(49)51-29-12-15-35-57(51)63-58/h1-40H
• InChIKey: YQSPYBQUALTDQG-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-[3-(4-dibenzofuran-1-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane?

The IUPAC name of [3-[3-(4-dibenzofuran-1-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane (CID 166588993) is [3-[3-(4-dibenzofuran-1-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane.

What is the SMILES notation for [3-[3-(4-dibenzofuran-1-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane?

The canonical SMILES for [3-[3-(4-dibenzofuran-1-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6c(-c7cccc8oc9ccccc9c78)cccc65)ccc43)c2)cc1.

What is the InChIKey of [3-[3-(4-dibenzofuran-1-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane?

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

What are the key properties of [3-[3-(4-dibenzofuran-1-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane?

[3-[3-(4-dibenzofuran-1-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-[3-(4-dibenzofuran-1-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane is sourced from PubChem (CID 166588993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).