[4-[3-[3-([1]benzofuro[2,3-a]carbazol-12-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane

C66H43N3OSi — CID 166588195

About [4-[3-[3-([1]benzofuro[2,3-a]carbazol-12-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane

[4-[3-[3-([1]benzofuro[2,3-a]carbazol-12-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane (PubChem CID 166588195) has the molecular formula C66H43N3OSi and a molecular weight of 922.18 g/mol. Its IUPAC name is [4-[3-[3-([1]benzofuro[2,3-a]carbazol-12-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane.

Molecular Properties

• Compound Name: [4-[3-[3-([1]benzofuro[2,3-a]carbazol-12-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane
• PubChem CID: 166588195
• Molecular Formula: C66H43N3OSi
• Molecular Weight: 922.18 g/mol
• Exact Mass: 921.32
• IUPAC Name: [4-[3-[3-([1]benzofuro[2,3-a]carbazol-12-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane
• SMILES: c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccc9c%10ccccc%10oc9c87)ccc65)ccc43)cc2)cc1
• InChI: InChI=1S/C66H43N3OSi/c1-4-18-47(19-5-1)71(48-20-6-2-7-21-48,49-22-8-3-9-23-49)50-36-32-44(33-37-50)67-59-28-14-11-25-52(59)57-42-45(34-40-62(57)67)68-60-29-15-12-26-53(60)58-43-46(35-41-63(58)68)69-61-30-16-10-24-51(61)55-38-39-56-54-27-13-17-31-64(54)70-66(56)65(55)69/h1-43H
• InChIKey: ZSAZGGVRQFSNFW-UHFFFAOYSA-N
• XLogP: 14.25
• TPSA: 27.93 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	922.18
LogP ≤ 5	14.25
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 [4-[3-[3-([1]benzofuro[2,3-a]carbazol-12-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane?

The IUPAC name of [4-[3-[3-([1]benzofuro[2,3-a]carbazol-12-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane (CID 166588195) is [4-[3-[3-([1]benzofuro[2,3-a]carbazol-12-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane.

What is the SMILES notation for [4-[3-[3-([1]benzofuro[2,3-a]carbazol-12-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane?

The canonical SMILES for [4-[3-[3-([1]benzofuro[2,3-a]carbazol-12-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccc9c%10ccccc%10oc9c87)ccc65)ccc43)cc2)cc1.

What is the InChIKey of [4-[3-[3-([1]benzofuro[2,3-a]carbazol-12-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane?

The InChIKey is ZSAZGGVRQFSNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H43N3OSi/c1-4-18-47(19-5-1)71(48-20-6-2-7-21-48,49-22-8-3-9-23-49)50-36-32-44(33-37-50)67-59-28-14-11-25-52(59)57-42-45(34-40-62(57)67)68-60-29-15-12-26-53(60)58-43-46(35-41-63(58)68)69-61-30-16-10-24-51(61)55-38-39-56-54-27-13-17-31-64(54)70-66(56)65(55)69/h1-43H.

What are the key properties of [4-[3-[3-([1]benzofuro[2,3-a]carbazol-12-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane?

[4-[3-[3-([1]benzofuro[2,3-a]carbazol-12-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane has a molecular weight of 922.18 g/mol, XLogP of 14.25, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[3-[3-([1]benzofuro[2,3-a]carbazol-12-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane is sourced from PubChem (CID 166588195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).