triphenyl-[3-[3-[9-phenyl-7-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]silane

C66H46N2Si — CID 140790424

About triphenyl-[3-[3-[9-phenyl-7-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]silane

triphenyl-[3-[3-[9-phenyl-7-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]silane (PubChem CID 140790424) has the molecular formula C66H46N2Si and a molecular weight of 895.19 g/mol. Its IUPAC name is triphenyl-[3-[3-[9-phenyl-7-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]silane.

Molecular Properties

• Compound Name: triphenyl-[3-[3-[9-phenyl-7-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]silane
• PubChem CID: 140790424
• Molecular Formula: C66H46N2Si
• Molecular Weight: 895.19 g/mol
• Exact Mass: 894.34
• IUPAC Name: triphenyl-[3-[3-[9-phenyl-7-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]silane
• SMILES: c1ccc(-c2cccc(-c3ccc4c5cc(-c6ccc7c(c6)c6ccccc6n7-c6cccc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)c6)ccc5n(-c5ccccc5)c4c3)c2)cc1
• InChI: InChI=1S/C66H46N2Si/c1-6-20-47(21-7-1)48-22-18-23-49(42-48)52-36-39-60-62-44-51(37-40-64(62)67(66(60)45-52)53-24-8-2-9-25-53)50-38-41-65-61(43-50)59-34-16-17-35-63(59)68(65)54-26-19-33-58(46-54)69(55-27-10-3-11-28-55,56-29-12-4-13-30-56)57-31-14-5-15-32-57/h1-46H
• InChIKey: JPIUYCULAORTNB-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 triphenyl-[3-[3-[9-phenyl-7-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]silane?

The IUPAC name of triphenyl-[3-[3-[9-phenyl-7-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]silane (CID 140790424) is triphenyl-[3-[3-[9-phenyl-7-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]silane.

What is the SMILES notation for triphenyl-[3-[3-[9-phenyl-7-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]silane?

The canonical SMILES for triphenyl-[3-[3-[9-phenyl-7-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]silane is c1ccc(-c2cccc(-c3ccc4c5cc(-c6ccc7c(c6)c6ccccc6n7-c6cccc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)c6)ccc5n(-c5ccccc5)c4c3)c2)cc1.

What is the InChIKey of triphenyl-[3-[3-[9-phenyl-7-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]silane?

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

What are the key properties of triphenyl-[3-[3-[9-phenyl-7-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]silane?

triphenyl-[3-[3-[9-phenyl-7-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]silane 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 triphenyl-[3-[3-[9-phenyl-7-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]silane is sourced from PubChem (CID 140790424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).