[3,5-diphenyl-9-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane

C66H46N2Si — CID 170515045

About [3,5-diphenyl-9-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane

[3,5-diphenyl-9-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane (PubChem CID 170515045) has the molecular formula C66H46N2Si and a molecular weight of 895.19 g/mol. Its IUPAC name is [3,5-diphenyl-9-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane.

Molecular Properties

• Compound Name: [3,5-diphenyl-9-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane
• PubChem CID: 170515045
• Molecular Formula: C66H46N2Si
• Molecular Weight: 895.19 g/mol
• Exact Mass: 894.34
• IUPAC Name: [3,5-diphenyl-9-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane
• SMILES: c1ccc(-c2cccc(-n3c4ccccc4c4ccc(-n5c6cccc(-c7ccccc7)c6c6c([Si](c7ccccc7)(c7ccccc7)c7ccccc7)c(-c7ccccc7)ccc65)cc43)c2)cc1
• InChI: InChI=1S/C66H46N2Si/c1-7-23-47(24-8-1)50-29-21-30-51(45-50)67-60-39-20-19-37-58(60)59-42-41-52(46-63(59)67)68-61-40-22-38-56(48-25-9-2-10-26-48)64(61)65-62(68)44-43-57(49-27-11-3-12-28-49)66(65)69(53-31-13-4-14-32-53,54-33-15-5-16-34-54)55-35-17-6-18-36-55/h1-46H
• InChIKey: GKLPMEUPCWROLT-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 [3,5-diphenyl-9-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane?

The IUPAC name of [3,5-diphenyl-9-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane (CID 170515045) is [3,5-diphenyl-9-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane.

What is the SMILES notation for [3,5-diphenyl-9-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane?

The canonical SMILES for [3,5-diphenyl-9-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane is c1ccc(-c2cccc(-n3c4ccccc4c4ccc(-n5c6cccc(-c7ccccc7)c6c6c([Si](c7ccccc7)(c7ccccc7)c7ccccc7)c(-c7ccccc7)ccc65)cc43)c2)cc1.

What is the InChIKey of [3,5-diphenyl-9-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane?

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

What are the key properties of [3,5-diphenyl-9-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane?

[3,5-diphenyl-9-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane 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 [3,5-diphenyl-9-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane is sourced from PubChem (CID 170515045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).