[9-[6-carbazol-9-yl-9-(4-phenylphenyl)carbazol-4-yl]carbazol-1-yl]-triphenylsilane

C66H45N3Si — CID 170515347

About [9-[6-carbazol-9-yl-9-(4-phenylphenyl)carbazol-4-yl]carbazol-1-yl]-triphenylsilane

[9-[6-carbazol-9-yl-9-(4-phenylphenyl)carbazol-4-yl]carbazol-1-yl]-triphenylsilane (PubChem CID 170515347) has the molecular formula C66H45N3Si and a molecular weight of 908.19 g/mol. Its IUPAC name is [9-[6-carbazol-9-yl-9-(4-phenylphenyl)carbazol-4-yl]carbazol-1-yl]-triphenylsilane.

Molecular Properties

• Compound Name: [9-[6-carbazol-9-yl-9-(4-phenylphenyl)carbazol-4-yl]carbazol-1-yl]-triphenylsilane
• PubChem CID: 170515347
• Molecular Formula: C66H45N3Si
• Molecular Weight: 908.19 g/mol
• Exact Mass: 907.34
• IUPAC Name: [9-[6-carbazol-9-yl-9-(4-phenylphenyl)carbazol-4-yl]carbazol-1-yl]-triphenylsilane
• SMILES: c1ccc(-c2ccc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4c(-n5c6ccccc6c6cccc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)c65)cccc43)cc2)cc1
• InChI: InChI=1S/C66H45N3Si/c1-5-21-46(22-6-1)47-39-41-48(42-40-47)67-61-44-43-49(68-58-33-16-13-29-53(58)54-30-14-17-34-59(54)68)45-57(61)65-62(67)36-20-37-63(65)69-60-35-18-15-31-55(60)56-32-19-38-64(66(56)69)70(50-23-7-2-8-24-50,51-25-9-3-10-26-51)52-27-11-4-12-28-52/h1-45H
• InChIKey: OSJWZKTYOBJZBY-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-[6-carbazol-9-yl-9-(4-phenylphenyl)carbazol-4-yl]carbazol-1-yl]-triphenylsilane?

The IUPAC name of [9-[6-carbazol-9-yl-9-(4-phenylphenyl)carbazol-4-yl]carbazol-1-yl]-triphenylsilane (CID 170515347) is [9-[6-carbazol-9-yl-9-(4-phenylphenyl)carbazol-4-yl]carbazol-1-yl]-triphenylsilane.

What is the SMILES notation for [9-[6-carbazol-9-yl-9-(4-phenylphenyl)carbazol-4-yl]carbazol-1-yl]-triphenylsilane?

The canonical SMILES for [9-[6-carbazol-9-yl-9-(4-phenylphenyl)carbazol-4-yl]carbazol-1-yl]-triphenylsilane is c1ccc(-c2ccc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4c(-n5c6ccccc6c6cccc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)c65)cccc43)cc2)cc1.

What is the InChIKey of [9-[6-carbazol-9-yl-9-(4-phenylphenyl)carbazol-4-yl]carbazol-1-yl]-triphenylsilane?

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

What are the key properties of [9-[6-carbazol-9-yl-9-(4-phenylphenyl)carbazol-4-yl]carbazol-1-yl]-triphenylsilane?

[9-[6-carbazol-9-yl-9-(4-phenylphenyl)carbazol-4-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 [9-[6-carbazol-9-yl-9-(4-phenylphenyl)carbazol-4-yl]carbazol-1-yl]-triphenylsilane is sourced from PubChem (CID 170515347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).