[8-carbazol-9-yl-9-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane

C66H45N3Si — CID 170516471

About [8-carbazol-9-yl-9-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane

[8-carbazol-9-yl-9-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane (PubChem CID 170516471) has the molecular formula C66H45N3Si and a molecular weight of 908.19 g/mol. Its IUPAC name is [8-carbazol-9-yl-9-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane.

Molecular Properties

• Compound Name: [8-carbazol-9-yl-9-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane
• PubChem CID: 170516471
• Molecular Formula: C66H45N3Si
• Molecular Weight: 908.19 g/mol
• Exact Mass: 907.34
• IUPAC Name: [8-carbazol-9-yl-9-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane
• SMILES: c1ccc(-c2ccc(-n3c4ccccc4c4ccc(-n5c6cccc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)c6c6cccc(-n7c8ccccc8c8ccccc87)c65)cc43)cc2)cc1
• InChI: InChI=1S/C66H45N3Si/c1-5-21-46(22-6-1)47-39-41-48(42-40-47)67-58-33-16-13-31-55(58)56-44-43-49(45-63(56)67)68-61-36-20-38-64(70(50-23-7-2-8-24-50,51-25-9-3-10-26-51)52-27-11-4-12-28-52)65(61)57-32-19-37-62(66(57)68)69-59-34-17-14-29-53(59)54-30-15-18-35-60(54)69/h1-45H
• InChIKey: AVDHFEKYFBZOII-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 [8-carbazol-9-yl-9-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane?

The IUPAC name of [8-carbazol-9-yl-9-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane (CID 170516471) is [8-carbazol-9-yl-9-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane.

What is the SMILES notation for [8-carbazol-9-yl-9-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane?

The canonical SMILES for [8-carbazol-9-yl-9-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane is c1ccc(-c2ccc(-n3c4ccccc4c4ccc(-n5c6cccc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)c6c6cccc(-n7c8ccccc8c8ccccc87)c65)cc43)cc2)cc1.

What is the InChIKey of [8-carbazol-9-yl-9-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane?

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

What are the key properties of [8-carbazol-9-yl-9-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane?

[8-carbazol-9-yl-9-[9-(4-phenylphenyl)carbazol-2-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 [8-carbazol-9-yl-9-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane is sourced from PubChem (CID 170516471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).