diphenyl-(3-phenylphenyl)-[9-[9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-4-yl]silane

C66H46N2Si — CID 171458393

About diphenyl-(3-phenylphenyl)-[9-[9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-4-yl]silane

diphenyl-(3-phenylphenyl)-[9-[9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-4-yl]silane (PubChem CID 171458393) has the molecular formula C66H46N2Si and a molecular weight of 895.19 g/mol. Its IUPAC name is diphenyl-(3-phenylphenyl)-[9-[9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-4-yl]silane.

Molecular Properties

• Compound Name: diphenyl-(3-phenylphenyl)-[9-[9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-4-yl]silane
• PubChem CID: 171458393
• Molecular Formula: C66H46N2Si
• Molecular Weight: 895.19 g/mol
• Exact Mass: 894.34
• IUPAC Name: diphenyl-(3-phenylphenyl)-[9-[9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-4-yl]silane
• SMILES: c1ccc(-c2cccc(-c3cccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7c([Si](c8ccccc8)(c8ccccc8)c8cccc(-c9ccccc9)c8)cccc76)ccc54)c3)c2)cc1
• InChI: InChI=1S/C66H46N2Si/c1-5-21-47(22-6-1)49-25-17-26-50(43-49)51-27-18-29-53(44-51)67-61-37-15-13-35-58(61)60-46-54(41-42-63(60)67)68-62-38-16-14-36-59(62)66-64(68)39-20-40-65(66)69(55-30-9-3-10-31-55,56-32-11-4-12-33-56)57-34-19-28-52(45-57)48-23-7-2-8-24-48/h1-46H
• InChIKey: DZMOJTQLKANYNH-UHFFFAOYSA-N
• XLogP: 14.26
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	895.19
LogP ≤ 5	14.26
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 diphenyl-(3-phenylphenyl)-[9-[9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-4-yl]silane?

The IUPAC name of diphenyl-(3-phenylphenyl)-[9-[9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-4-yl]silane (CID 171458393) is diphenyl-(3-phenylphenyl)-[9-[9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-4-yl]silane.

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

The canonical SMILES for diphenyl-(3-phenylphenyl)-[9-[9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-4-yl]silane is c1ccc(-c2cccc(-c3cccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7c([Si](c8ccccc8)(c8ccccc8)c8cccc(-c9ccccc9)c8)cccc76)ccc54)c3)c2)cc1.

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

The InChIKey is DZMOJTQLKANYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H46N2Si/c1-5-21-47(22-6-1)49-25-17-26-50(43-49)51-27-18-29-53(44-51)67-61-37-15-13-35-58(61)60-46-54(41-42-63(60)67)68-62-38-16-14-36-59(62)66-64(68)39-20-40-65(66)69(55-30-9-3-10-31-55,56-32-11-4-12-33-56)57-34-19-28-52(45-57)48-23-7-2-8-24-48/h1-46H.

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

diphenyl-(3-phenylphenyl)-[9-[9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-4-yl]silane has a molecular weight of 895.19 g/mol, XLogP of 14.26, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for diphenyl-(3-phenylphenyl)-[9-[9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-4-yl]silane is sourced from PubChem (CID 171458393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).