[9-[8-carbazol-9-yl-9-(4-phenylphenyl)carbazol-1-yl]carbazol-4-yl]-triphenylsilane

C66H45N3Si — CID 170515914

About [9-[8-carbazol-9-yl-9-(4-phenylphenyl)carbazol-1-yl]carbazol-4-yl]-triphenylsilane

[9-[8-carbazol-9-yl-9-(4-phenylphenyl)carbazol-1-yl]carbazol-4-yl]-triphenylsilane (PubChem CID 170515914) has the molecular formula C66H45N3Si and a molecular weight of 908.19 g/mol. Its IUPAC name is [9-[8-carbazol-9-yl-9-(4-phenylphenyl)carbazol-1-yl]carbazol-4-yl]-triphenylsilane.

Molecular Properties

• Compound Name: [9-[8-carbazol-9-yl-9-(4-phenylphenyl)carbazol-1-yl]carbazol-4-yl]-triphenylsilane
• PubChem CID: 170515914
• Molecular Formula: C66H45N3Si
• Molecular Weight: 908.19 g/mol
• Exact Mass: 907.34
• IUPAC Name: [9-[8-carbazol-9-yl-9-(4-phenylphenyl)carbazol-1-yl]carbazol-4-yl]-triphenylsilane
• SMILES: c1ccc(-c2ccc(-n3c4c(-n5c6ccccc6c6ccccc65)cccc4c4cccc(-n5c6ccccc6c6c([Si](c7ccccc7)(c7ccccc7)c7ccccc7)cccc65)c43)cc2)cc1
• InChI: InChI=1S/C66H45N3Si/c1-5-22-46(23-6-1)47-42-44-48(45-43-47)67-65-54(33-19-39-61(65)68-57-35-16-13-30-52(57)53-31-14-17-36-58(53)68)55-34-20-40-62(66(55)67)69-59-37-18-15-32-56(59)64-60(69)38-21-41-63(64)70(49-24-7-2-8-25-49,50-26-9-3-10-27-50)51-28-11-4-12-29-51/h1-45H
• InChIKey: XAJPODFCEWELET-UHFFFAOYSA-N
• XLogP: 14.02
• TPSA: 14.79 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	908.19
LogP ≤ 5	14.02
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 [9-[8-carbazol-9-yl-9-(4-phenylphenyl)carbazol-1-yl]carbazol-4-yl]-triphenylsilane?

The IUPAC name of [9-[8-carbazol-9-yl-9-(4-phenylphenyl)carbazol-1-yl]carbazol-4-yl]-triphenylsilane (CID 170515914) is [9-[8-carbazol-9-yl-9-(4-phenylphenyl)carbazol-1-yl]carbazol-4-yl]-triphenylsilane.

What is the SMILES notation for [9-[8-carbazol-9-yl-9-(4-phenylphenyl)carbazol-1-yl]carbazol-4-yl]-triphenylsilane?

The canonical SMILES for [9-[8-carbazol-9-yl-9-(4-phenylphenyl)carbazol-1-yl]carbazol-4-yl]-triphenylsilane is c1ccc(-c2ccc(-n3c4c(-n5c6ccccc6c6ccccc65)cccc4c4cccc(-n5c6ccccc6c6c([Si](c7ccccc7)(c7ccccc7)c7ccccc7)cccc65)c43)cc2)cc1.

What is the InChIKey of [9-[8-carbazol-9-yl-9-(4-phenylphenyl)carbazol-1-yl]carbazol-4-yl]-triphenylsilane?

The InChIKey is XAJPODFCEWELET-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H45N3Si/c1-5-22-46(23-6-1)47-42-44-48(45-43-47)67-65-54(33-19-39-61(65)68-57-35-16-13-30-52(57)53-31-14-17-36-58(53)68)55-34-20-40-62(66(55)67)69-59-37-18-15-32-56(59)64-60(69)38-21-41-63(64)70(49-24-7-2-8-25-49,50-26-9-3-10-27-50)51-28-11-4-12-29-51/h1-45H.

What are the key properties of [9-[8-carbazol-9-yl-9-(4-phenylphenyl)carbazol-1-yl]carbazol-4-yl]-triphenylsilane?

[9-[8-carbazol-9-yl-9-(4-phenylphenyl)carbazol-1-yl]carbazol-4-yl]-triphenylsilane has a molecular weight of 908.19 g/mol, XLogP of 14.02, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [9-[8-carbazol-9-yl-9-(4-phenylphenyl)carbazol-1-yl]carbazol-4-yl]-triphenylsilane is sourced from PubChem (CID 170515914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).