[3-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]phenyl]-tris(3-methylphenyl)silane

C57H43NOSi — CID 140702801

About [3-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]phenyl]-tris(3-methylphenyl)silane

[3-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]phenyl]-tris(3-methylphenyl)silane (PubChem CID 140702801) has the molecular formula C57H43NOSi and a molecular weight of 786.06 g/mol. Its IUPAC name is [3-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]phenyl]-tris(3-methylphenyl)silane.

Molecular Properties

• Compound Name: [3-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]phenyl]-tris(3-methylphenyl)silane
• PubChem CID: 140702801
• Molecular Formula: C57H43NOSi
• Molecular Weight: 786.06 g/mol
• Exact Mass: 785.31
• IUPAC Name: [3-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]phenyl]-tris(3-methylphenyl)silane
• SMILES: Cc1cccc([Si](c2cccc(C)c2)(c2cccc(C)c2)c2cccc(-c3cccc(-c4ccc5oc6ccc(-n7c8ccccc8c8ccccc87)cc6c5c4)c3)c2)c1
• InChI: InChI=1S/C57H43NOSi/c1-38-13-8-19-46(31-38)60(47-20-9-14-39(2)32-47,48-21-10-15-40(3)33-48)49-22-12-18-43(35-49)41-16-11-17-42(34-41)44-27-29-56-52(36-44)53-37-45(28-30-57(53)59-56)58-54-25-6-4-23-50(54)51-24-5-7-26-55(51)58/h4-37H,1-3H3
• InChIKey: RTVRACGWJYLCPX-UHFFFAOYSA-N
• XLogP: 12.32
• TPSA: 18.07 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	786.06
LogP ≤ 5	12.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]phenyl]-tris(3-methylphenyl)silane?

The IUPAC name of [3-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]phenyl]-tris(3-methylphenyl)silane (CID 140702801) is [3-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]phenyl]-tris(3-methylphenyl)silane.

What is the SMILES notation for [3-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]phenyl]-tris(3-methylphenyl)silane?

The canonical SMILES for [3-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]phenyl]-tris(3-methylphenyl)silane is Cc1cccc([Si](c2cccc(C)c2)(c2cccc(C)c2)c2cccc(-c3cccc(-c4ccc5oc6ccc(-n7c8ccccc8c8ccccc87)cc6c5c4)c3)c2)c1.

What is the InChIKey of [3-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]phenyl]-tris(3-methylphenyl)silane?

The InChIKey is RTVRACGWJYLCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H43NOSi/c1-38-13-8-19-46(31-38)60(47-20-9-14-39(2)32-47,48-21-10-15-40(3)33-48)49-22-12-18-43(35-49)41-16-11-17-42(34-41)44-27-29-56-52(36-44)53-37-45(28-30-57(53)59-56)58-54-25-6-4-23-50(54)51-24-5-7-26-55(51)58/h4-37H,1-3H3.

What are the key properties of [3-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]phenyl]-tris(3-methylphenyl)silane?

[3-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]phenyl]-tris(3-methylphenyl)silane has a molecular weight of 786.06 g/mol, XLogP of 12.32, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]phenyl]-tris(3-methylphenyl)silane is sourced from PubChem (CID 140702801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).