9-[4-[[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-diphenylsilyl]phenyl]carbazole-3,6-dicarbonitrile

C56H34N4OSi — CID 140842346

About 9-[4-[[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-diphenylsilyl]phenyl]carbazole-3,6-dicarbonitrile

9-[4-[[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-diphenylsilyl]phenyl]carbazole-3,6-dicarbonitrile (PubChem CID 140842346) has the molecular formula C56H34N4OSi and a molecular weight of 807.00 g/mol. Its IUPAC name is 9-[4-[[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-diphenylsilyl]phenyl]carbazole-3,6-dicarbonitrile.

Molecular Properties

• Compound Name: 9-[4-[[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-diphenylsilyl]phenyl]carbazole-3,6-dicarbonitrile
• PubChem CID: 140842346
• Molecular Formula: C56H34N4OSi
• Molecular Weight: 807.00 g/mol
• Exact Mass: 806.25
• IUPAC Name: 9-[4-[[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-diphenylsilyl]phenyl]carbazole-3,6-dicarbonitrile
• SMILES: N#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-n3c4ccccc4c4ccc5oc6ccccc6c5c43)cc2)cc1
• InChI: InChI=1S/C56H34N4OSi/c57-35-37-19-30-51-48(33-37)49-34-38(36-58)20-31-52(49)59(51)39-21-25-43(26-22-39)62(41-11-3-1-4-12-41,42-13-5-2-6-14-42)44-27-23-40(24-28-44)60-50-17-9-7-15-45(50)46-29-32-54-55(56(46)60)47-16-8-10-18-53(47)61-54/h1-34H
• InChIKey: BVOKNOAQBDYWAN-UHFFFAOYSA-N
• XLogP: 10.90
• TPSA: 70.58 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	807.00
LogP ≤ 5	10.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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-[4-[[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-diphenylsilyl]phenyl]carbazole-3,6-dicarbonitrile?

The IUPAC name of 9-[4-[[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-diphenylsilyl]phenyl]carbazole-3,6-dicarbonitrile (CID 140842346) is 9-[4-[[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-diphenylsilyl]phenyl]carbazole-3,6-dicarbonitrile.

What is the SMILES notation for 9-[4-[[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-diphenylsilyl]phenyl]carbazole-3,6-dicarbonitrile?

The canonical SMILES for 9-[4-[[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-diphenylsilyl]phenyl]carbazole-3,6-dicarbonitrile is N#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-n3c4ccccc4c4ccc5oc6ccccc6c5c43)cc2)cc1.

What is the InChIKey of 9-[4-[[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-diphenylsilyl]phenyl]carbazole-3,6-dicarbonitrile?

The InChIKey is BVOKNOAQBDYWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N4OSi/c57-35-37-19-30-51-48(33-37)49-34-38(36-58)20-31-52(49)59(51)39-21-25-43(26-22-39)62(41-11-3-1-4-12-41,42-13-5-2-6-14-42)44-27-23-40(24-28-44)60-50-17-9-7-15-45(50)46-29-32-54-55(56(46)60)47-16-8-10-18-53(47)61-54/h1-34H.

What are the key properties of 9-[4-[[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-diphenylsilyl]phenyl]carbazole-3,6-dicarbonitrile?

9-[4-[[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-diphenylsilyl]phenyl]carbazole-3,6-dicarbonitrile has a molecular weight of 807.00 g/mol, XLogP of 10.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-[[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-diphenylsilyl]phenyl]carbazole-3,6-dicarbonitrile is sourced from PubChem (CID 140842346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).