(3-dibenzofuran-4-ylphenyl)-diphenyl-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]silane

C60H40N2OSi — CID 123907174

About (3-dibenzofuran-4-ylphenyl)-diphenyl-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]silane

(3-dibenzofuran-4-ylphenyl)-diphenyl-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]silane (PubChem CID 123907174) has the molecular formula C60H40N2OSi and a molecular weight of 833.08 g/mol. Its IUPAC name is (3-dibenzofuran-4-ylphenyl)-diphenyl-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]silane.

Molecular Properties

• Compound Name: (3-dibenzofuran-4-ylphenyl)-diphenyl-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]silane
• PubChem CID: 123907174
• Molecular Formula: C60H40N2OSi
• Molecular Weight: 833.08 g/mol
• Exact Mass: 832.29
• IUPAC Name: (3-dibenzofuran-4-ylphenyl)-diphenyl-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]silane
• SMILES: c1ccc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4cccc([Si](c5ccccc5)(c5ccccc5)c5cccc(-c6cccc7c6oc6ccccc67)c5)c4)c32)cc1
• InChI: InChI=1S/C60H40N2OSi/c1-4-20-42(21-5-1)62-54-34-13-10-29-49(54)51-37-38-56-58(59(51)62)53-31-11-14-35-55(53)61(56)43-22-17-28-47(40-43)64(44-23-6-2-7-24-44,45-25-8-3-9-26-45)46-27-16-19-41(39-46)48-32-18-33-52-50-30-12-15-36-57(50)63-60(48)52/h1-40H
• InChIKey: XUCKGYAJEJOHTH-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-dibenzofuran-4-ylphenyl)-diphenyl-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]silane?

The IUPAC name of (3-dibenzofuran-4-ylphenyl)-diphenyl-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]silane (CID 123907174) is (3-dibenzofuran-4-ylphenyl)-diphenyl-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]silane.

What is the SMILES notation for (3-dibenzofuran-4-ylphenyl)-diphenyl-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]silane?

The canonical SMILES for (3-dibenzofuran-4-ylphenyl)-diphenyl-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]silane is c1ccc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4cccc([Si](c5ccccc5)(c5ccccc5)c5cccc(-c6cccc7c6oc6ccccc67)c5)c4)c32)cc1.

What is the InChIKey of (3-dibenzofuran-4-ylphenyl)-diphenyl-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]silane?

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

What are the key properties of (3-dibenzofuran-4-ylphenyl)-diphenyl-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]silane?

(3-dibenzofuran-4-ylphenyl)-diphenyl-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]silane 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-dibenzofuran-4-ylphenyl)-diphenyl-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]silane is sourced from PubChem (CID 123907174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).