9-[3-[[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-diphenylsilyl]-5-cyanophenyl]carbazole-3-carbonitrile

C56H34N4OSi — CID 140842601

About 9-[3-[[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-diphenylsilyl]-5-cyanophenyl]carbazole-3-carbonitrile

9-[3-[[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-diphenylsilyl]-5-cyanophenyl]carbazole-3-carbonitrile (PubChem CID 140842601) has the molecular formula C56H34N4OSi and a molecular weight of 807.00 g/mol. Its IUPAC name is 9-[3-[[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-diphenylsilyl]-5-cyanophenyl]carbazole-3-carbonitrile.

Molecular Properties

• Compound Name: 9-[3-[[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-diphenylsilyl]-5-cyanophenyl]carbazole-3-carbonitrile
• PubChem CID: 140842601
• Molecular Formula: C56H34N4OSi
• Molecular Weight: 807.00 g/mol
• Exact Mass: 806.25
• IUPAC Name: 9-[3-[[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-diphenylsilyl]-5-cyanophenyl]carbazole-3-carbonitrile
• SMILES: N#Cc1cc(-n2c3ccccc3c3cc(C#N)ccc32)cc([Si](c2ccccc2)(c2ccccc2)c2ccc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)cc2)c1
• InChI: InChI=1S/C56H34N4OSi/c57-35-37-23-29-52-49(33-37)45-17-7-10-20-50(45)60(52)40-31-38(36-58)32-44(34-40)62(41-13-3-1-4-14-41,42-15-5-2-6-16-42)43-26-24-39(25-27-43)59-51-21-11-8-19-48(51)55-53(59)30-28-47-46-18-9-12-22-54(46)61-56(47)55/h1-34H
• InChIKey: AMHOKGDZTILDCC-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-[3-[[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-diphenylsilyl]-5-cyanophenyl]carbazole-3-carbonitrile?

The IUPAC name of 9-[3-[[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-diphenylsilyl]-5-cyanophenyl]carbazole-3-carbonitrile (CID 140842601) is 9-[3-[[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-diphenylsilyl]-5-cyanophenyl]carbazole-3-carbonitrile.

What is the SMILES notation for 9-[3-[[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-diphenylsilyl]-5-cyanophenyl]carbazole-3-carbonitrile?

The canonical SMILES for 9-[3-[[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-diphenylsilyl]-5-cyanophenyl]carbazole-3-carbonitrile is N#Cc1cc(-n2c3ccccc3c3cc(C#N)ccc32)cc([Si](c2ccccc2)(c2ccccc2)c2ccc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)cc2)c1.

What is the InChIKey of 9-[3-[[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-diphenylsilyl]-5-cyanophenyl]carbazole-3-carbonitrile?

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

What are the key properties of 9-[3-[[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-diphenylsilyl]-5-cyanophenyl]carbazole-3-carbonitrile?

9-[3-[[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-diphenylsilyl]-5-cyanophenyl]carbazole-3-carbonitrile 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-[3-[[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-diphenylsilyl]-5-cyanophenyl]carbazole-3-carbonitrile is sourced from PubChem (CID 140842601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).