diphenyl-(3-phenylphenyl)-[3-[5-phenyl-3-(4-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]silane

C66H46N2Si — CID 171458498

About diphenyl-(3-phenylphenyl)-[3-[5-phenyl-3-(4-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]silane

diphenyl-(3-phenylphenyl)-[3-[5-phenyl-3-(4-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]silane (PubChem CID 171458498) has the molecular formula C66H46N2Si and a molecular weight of 895.19 g/mol. Its IUPAC name is diphenyl-(3-phenylphenyl)-[3-[5-phenyl-3-(4-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]silane.

Molecular Properties

• Compound Name: diphenyl-(3-phenylphenyl)-[3-[5-phenyl-3-(4-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]silane
• PubChem CID: 171458498
• Molecular Formula: C66H46N2Si
• Molecular Weight: 895.19 g/mol
• Exact Mass: 894.34
• IUPAC Name: diphenyl-(3-phenylphenyl)-[3-[5-phenyl-3-(4-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]silane
• SMILES: c1ccc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3cccc(-n4c5ccc(-n6c7ccccc7c7c(-c8ccccc8)cccc76)cc5c5c(-c6ccccc6)cccc54)c3)c2)cc1
• InChI: InChI=1S/C66H46N2Si/c1-6-22-47(23-7-1)50-28-18-34-55(44-50)69(53-30-12-4-13-31-53,54-32-14-5-15-33-54)56-35-19-29-51(45-56)67-62-43-42-52(46-60(62)66-58(38-21-41-64(66)67)49-26-10-3-11-27-49)68-61-39-17-16-36-59(61)65-57(37-20-40-63(65)68)48-24-8-2-9-25-48/h1-46H
• InChIKey: FJVWPOMVRAREGJ-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 diphenyl-(3-phenylphenyl)-[3-[5-phenyl-3-(4-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]silane?

The IUPAC name of diphenyl-(3-phenylphenyl)-[3-[5-phenyl-3-(4-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]silane (CID 171458498) is diphenyl-(3-phenylphenyl)-[3-[5-phenyl-3-(4-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]silane.

What is the SMILES notation for diphenyl-(3-phenylphenyl)-[3-[5-phenyl-3-(4-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]silane?

The canonical SMILES for diphenyl-(3-phenylphenyl)-[3-[5-phenyl-3-(4-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]silane is c1ccc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3cccc(-n4c5ccc(-n6c7ccccc7c7c(-c8ccccc8)cccc76)cc5c5c(-c6ccccc6)cccc54)c3)c2)cc1.

What is the InChIKey of diphenyl-(3-phenylphenyl)-[3-[5-phenyl-3-(4-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]silane?

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

What are the key properties of diphenyl-(3-phenylphenyl)-[3-[5-phenyl-3-(4-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]silane?

diphenyl-(3-phenylphenyl)-[3-[5-phenyl-3-(4-phenylcarbazol-9-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 diphenyl-(3-phenylphenyl)-[3-[5-phenyl-3-(4-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]silane is sourced from PubChem (CID 171458498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).