[6-carbazol-9-yl-9-[9-(2-phenylphenyl)carbazol-3-yl]carbazol-1-yl]-triphenylsilane

C66H45N3Si — CID 170515996

About [6-carbazol-9-yl-9-[9-(2-phenylphenyl)carbazol-3-yl]carbazol-1-yl]-triphenylsilane

[6-carbazol-9-yl-9-[9-(2-phenylphenyl)carbazol-3-yl]carbazol-1-yl]-triphenylsilane (PubChem CID 170515996) has the molecular formula C66H45N3Si and a molecular weight of 908.19 g/mol. Its IUPAC name is [6-carbazol-9-yl-9-[9-(2-phenylphenyl)carbazol-3-yl]carbazol-1-yl]-triphenylsilane.

Molecular Properties

• Compound Name: [6-carbazol-9-yl-9-[9-(2-phenylphenyl)carbazol-3-yl]carbazol-1-yl]-triphenylsilane
• PubChem CID: 170515996
• Molecular Formula: C66H45N3Si
• Molecular Weight: 908.19 g/mol
• Exact Mass: 907.34
• IUPAC Name: [6-carbazol-9-yl-9-[9-(2-phenylphenyl)carbazol-3-yl]carbazol-1-yl]-triphenylsilane
• SMILES: c1ccc(-c2ccccc2-n2c3ccccc3c3cc(-n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)c54)ccc32)cc1
• InChI: InChI=1S/C66H45N3Si/c1-5-22-46(23-6-1)52-30-13-17-35-59(52)69-62-38-20-16-33-55(62)57-45-48(41-43-64(57)69)68-63-42-40-47(67-60-36-18-14-31-53(60)54-32-15-19-37-61(54)67)44-58(63)56-34-21-39-65(66(56)68)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: CANBHSWBHSIDDM-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 [6-carbazol-9-yl-9-[9-(2-phenylphenyl)carbazol-3-yl]carbazol-1-yl]-triphenylsilane?

The IUPAC name of [6-carbazol-9-yl-9-[9-(2-phenylphenyl)carbazol-3-yl]carbazol-1-yl]-triphenylsilane (CID 170515996) is [6-carbazol-9-yl-9-[9-(2-phenylphenyl)carbazol-3-yl]carbazol-1-yl]-triphenylsilane.

What is the SMILES notation for [6-carbazol-9-yl-9-[9-(2-phenylphenyl)carbazol-3-yl]carbazol-1-yl]-triphenylsilane?

The canonical SMILES for [6-carbazol-9-yl-9-[9-(2-phenylphenyl)carbazol-3-yl]carbazol-1-yl]-triphenylsilane is c1ccc(-c2ccccc2-n2c3ccccc3c3cc(-n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)c54)ccc32)cc1.

What is the InChIKey of [6-carbazol-9-yl-9-[9-(2-phenylphenyl)carbazol-3-yl]carbazol-1-yl]-triphenylsilane?

The InChIKey is CANBHSWBHSIDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H45N3Si/c1-5-22-46(23-6-1)52-30-13-17-35-59(52)69-62-38-20-16-33-55(62)57-45-48(41-43-64(57)69)68-63-42-40-47(67-60-36-18-14-31-53(60)54-32-15-19-37-61(54)67)44-58(63)56-34-21-39-65(66(56)68)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 [6-carbazol-9-yl-9-[9-(2-phenylphenyl)carbazol-3-yl]carbazol-1-yl]-triphenylsilane?

[6-carbazol-9-yl-9-[9-(2-phenylphenyl)carbazol-3-yl]carbazol-1-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 [6-carbazol-9-yl-9-[9-(2-phenylphenyl)carbazol-3-yl]carbazol-1-yl]-triphenylsilane is sourced from PubChem (CID 170515996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).