diphenyl-(3-pyridin-2-ylphenyl)-(5,5,12-triphenyl-13-pyridin-2-yl-[1,4]benzazasilino[2,3-a]carbazol-2-yl)silane

C64H46N4Si2 — CID 140952597

About diphenyl-(3-pyridin-2-ylphenyl)-(5,5,12-triphenyl-13-pyridin-2-yl-[1,4]benzazasilino[2,3-a]carbazol-2-yl)silane

diphenyl-(3-pyridin-2-ylphenyl)-(5,5,12-triphenyl-13-pyridin-2-yl-[1,4]benzazasilino[2,3-a]carbazol-2-yl)silane (PubChem CID 140952597) has the molecular formula C64H46N4Si2 and a molecular weight of 927.27 g/mol. Its IUPAC name is diphenyl-(3-pyridin-2-ylphenyl)-(5,5,12-triphenyl-13-pyridin-2-yl-[1,4]benzazasilino[2,3-a]carbazol-2-yl)silane.

Molecular Properties

• Compound Name: diphenyl-(3-pyridin-2-ylphenyl)-(5,5,12-triphenyl-13-pyridin-2-yl-[1,4]benzazasilino[2,3-a]carbazol-2-yl)silane
• PubChem CID: 140952597
• Molecular Formula: C64H46N4Si2
• Molecular Weight: 927.27 g/mol
• Exact Mass: 926.33
• IUPAC Name: diphenyl-(3-pyridin-2-ylphenyl)-(5,5,12-triphenyl-13-pyridin-2-yl-[1,4]benzazasilino[2,3-a]carbazol-2-yl)silane
• SMILES: c1ccc(-n2c3ccccc3c3ccc4c(c32)N(c2ccccn2)c2cc([Si](c3ccccc3)(c3ccccc3)c3cccc(-c5ccccn5)c3)ccc2[Si]4(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C64H46N4Si2/c1-6-24-48(25-7-1)67-58-37-17-16-35-55(58)56-40-42-61-64(63(56)67)68(62-38-19-21-44-66-62)59-46-54(39-41-60(59)70(61,51-30-12-4-13-31-51)52-32-14-5-15-33-52)69(49-26-8-2-9-27-49,50-28-10-3-11-29-50)53-34-22-23-47(45-53)57-36-18-20-43-65-57/h1-46H
• InChIKey: MQASYIASWBDQOC-UHFFFAOYSA-N
• XLogP: 9.78
• TPSA: 33.95 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	927.27
LogP ≤ 5	9.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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-pyridin-2-ylphenyl)-(5,5,12-triphenyl-13-pyridin-2-yl-[1,4]benzazasilino[2,3-a]carbazol-2-yl)silane?

The IUPAC name of diphenyl-(3-pyridin-2-ylphenyl)-(5,5,12-triphenyl-13-pyridin-2-yl-[1,4]benzazasilino[2,3-a]carbazol-2-yl)silane (CID 140952597) is diphenyl-(3-pyridin-2-ylphenyl)-(5,5,12-triphenyl-13-pyridin-2-yl-[1,4]benzazasilino[2,3-a]carbazol-2-yl)silane.

What is the SMILES notation for diphenyl-(3-pyridin-2-ylphenyl)-(5,5,12-triphenyl-13-pyridin-2-yl-[1,4]benzazasilino[2,3-a]carbazol-2-yl)silane?

The canonical SMILES for diphenyl-(3-pyridin-2-ylphenyl)-(5,5,12-triphenyl-13-pyridin-2-yl-[1,4]benzazasilino[2,3-a]carbazol-2-yl)silane is c1ccc(-n2c3ccccc3c3ccc4c(c32)N(c2ccccn2)c2cc([Si](c3ccccc3)(c3ccccc3)c3cccc(-c5ccccn5)c3)ccc2[Si]4(c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of diphenyl-(3-pyridin-2-ylphenyl)-(5,5,12-triphenyl-13-pyridin-2-yl-[1,4]benzazasilino[2,3-a]carbazol-2-yl)silane?

The InChIKey is MQASYIASWBDQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H46N4Si2/c1-6-24-48(25-7-1)67-58-37-17-16-35-55(58)56-40-42-61-64(63(56)67)68(62-38-19-21-44-66-62)59-46-54(39-41-60(59)70(61,51-30-12-4-13-31-51)52-32-14-5-15-33-52)69(49-26-8-2-9-27-49,50-28-10-3-11-29-50)53-34-22-23-47(45-53)57-36-18-20-43-65-57/h1-46H.

What are the key properties of diphenyl-(3-pyridin-2-ylphenyl)-(5,5,12-triphenyl-13-pyridin-2-yl-[1,4]benzazasilino[2,3-a]carbazol-2-yl)silane?

diphenyl-(3-pyridin-2-ylphenyl)-(5,5,12-triphenyl-13-pyridin-2-yl-[1,4]benzazasilino[2,3-a]carbazol-2-yl)silane has a molecular weight of 927.27 g/mol, XLogP of 9.78, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for diphenyl-(3-pyridin-2-ylphenyl)-(5,5,12-triphenyl-13-pyridin-2-yl-[1,4]benzazasilino[2,3-a]carbazol-2-yl)silane is sourced from PubChem (CID 140952597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).