[9-[9-(2,6-diphenylphenyl)-5-phenylcarbazol-3-yl]carbazol-2-yl]-triphenylsilane

C66H46N2Si — CID 171458588

About [9-[9-(2,6-diphenylphenyl)-5-phenylcarbazol-3-yl]carbazol-2-yl]-triphenylsilane

[9-[9-(2,6-diphenylphenyl)-5-phenylcarbazol-3-yl]carbazol-2-yl]-triphenylsilane (PubChem CID 171458588) has the molecular formula C66H46N2Si and a molecular weight of 895.19 g/mol. Its IUPAC name is [9-[9-(2,6-diphenylphenyl)-5-phenylcarbazol-3-yl]carbazol-2-yl]-triphenylsilane.

Molecular Properties

• Compound Name: [9-[9-(2,6-diphenylphenyl)-5-phenylcarbazol-3-yl]carbazol-2-yl]-triphenylsilane
• PubChem CID: 171458588
• Molecular Formula: C66H46N2Si
• Molecular Weight: 895.19 g/mol
• Exact Mass: 894.34
• IUPAC Name: [9-[9-(2,6-diphenylphenyl)-5-phenylcarbazol-3-yl]carbazol-2-yl]-triphenylsilane
• SMILES: c1ccc(-c2cccc(-c3ccccc3)c2-n2c3ccc(-n4c5ccccc5c5ccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cc54)cc3c3c(-c4ccccc4)cccc32)cc1
• InChI: InChI=1S/C66H46N2Si/c1-7-23-47(24-8-1)55-36-22-40-63-65(55)60-45-50(41-44-62(60)68(63)66-56(48-25-9-2-10-26-48)37-21-38-57(66)49-27-11-3-12-28-49)67-61-39-20-19-35-58(61)59-43-42-54(46-64(59)67)69(51-29-13-4-14-30-51,52-31-15-5-16-32-52)53-33-17-6-18-34-53/h1-46H
• InChIKey: SCQNSHYMBCPIDK-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 [9-[9-(2,6-diphenylphenyl)-5-phenylcarbazol-3-yl]carbazol-2-yl]-triphenylsilane?

The IUPAC name of [9-[9-(2,6-diphenylphenyl)-5-phenylcarbazol-3-yl]carbazol-2-yl]-triphenylsilane (CID 171458588) is [9-[9-(2,6-diphenylphenyl)-5-phenylcarbazol-3-yl]carbazol-2-yl]-triphenylsilane.

What is the SMILES notation for [9-[9-(2,6-diphenylphenyl)-5-phenylcarbazol-3-yl]carbazol-2-yl]-triphenylsilane?

The canonical SMILES for [9-[9-(2,6-diphenylphenyl)-5-phenylcarbazol-3-yl]carbazol-2-yl]-triphenylsilane is c1ccc(-c2cccc(-c3ccccc3)c2-n2c3ccc(-n4c5ccccc5c5ccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cc54)cc3c3c(-c4ccccc4)cccc32)cc1.

What is the InChIKey of [9-[9-(2,6-diphenylphenyl)-5-phenylcarbazol-3-yl]carbazol-2-yl]-triphenylsilane?

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

What are the key properties of [9-[9-(2,6-diphenylphenyl)-5-phenylcarbazol-3-yl]carbazol-2-yl]-triphenylsilane?

[9-[9-(2,6-diphenylphenyl)-5-phenylcarbazol-3-yl]carbazol-2-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 [9-[9-(2,6-diphenylphenyl)-5-phenylcarbazol-3-yl]carbazol-2-yl]-triphenylsilane is sourced from PubChem (CID 171458588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).