9-[3-[3-[(3-cyanophenyl)-diphenylsilyl]phenyl]phenyl]carbazole-3,6-dicarbonitrile

C45H28N4Si — CID 148910617

About 9-[3-[3-[(3-cyanophenyl)-diphenylsilyl]phenyl]phenyl]carbazole-3,6-dicarbonitrile

9-[3-[3-[(3-cyanophenyl)-diphenylsilyl]phenyl]phenyl]carbazole-3,6-dicarbonitrile (PubChem CID 148910617) has the molecular formula C45H28N4Si and a molecular weight of 652.83 g/mol. Its IUPAC name is 9-[3-[3-[(3-cyanophenyl)-diphenylsilyl]phenyl]phenyl]carbazole-3,6-dicarbonitrile.

Molecular Properties

• Compound Name: 9-[3-[3-[(3-cyanophenyl)-diphenylsilyl]phenyl]phenyl]carbazole-3,6-dicarbonitrile
• PubChem CID: 148910617
• Molecular Formula: C45H28N4Si
• Molecular Weight: 652.83 g/mol
• Exact Mass: 652.21
• IUPAC Name: 9-[3-[3-[(3-cyanophenyl)-diphenylsilyl]phenyl]phenyl]carbazole-3,6-dicarbonitrile
• SMILES: N#Cc1cccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3cccc(-n4c5ccc(C#N)cc5c5cc(C#N)ccc54)c3)c2)c1
• InChI: InChI=1S/C45H28N4Si/c46-29-32-10-7-18-40(24-32)50(38-14-3-1-4-15-38,39-16-5-2-6-17-39)41-19-9-12-36(28-41)35-11-8-13-37(27-35)49-44-22-20-33(30-47)25-42(44)43-26-34(31-48)21-23-45(43)49/h1-28H
• InChIKey: PINZGQKADDTRLD-UHFFFAOYSA-N
• XLogP: 7.44
• TPSA: 76.30 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	652.83
LogP ≤ 5	7.44
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 9-[3-[3-[(3-cyanophenyl)-diphenylsilyl]phenyl]phenyl]carbazole-3,6-dicarbonitrile?

The IUPAC name of 9-[3-[3-[(3-cyanophenyl)-diphenylsilyl]phenyl]phenyl]carbazole-3,6-dicarbonitrile (CID 148910617) is 9-[3-[3-[(3-cyanophenyl)-diphenylsilyl]phenyl]phenyl]carbazole-3,6-dicarbonitrile.

What is the SMILES notation for 9-[3-[3-[(3-cyanophenyl)-diphenylsilyl]phenyl]phenyl]carbazole-3,6-dicarbonitrile?

The canonical SMILES for 9-[3-[3-[(3-cyanophenyl)-diphenylsilyl]phenyl]phenyl]carbazole-3,6-dicarbonitrile is N#Cc1cccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3cccc(-n4c5ccc(C#N)cc5c5cc(C#N)ccc54)c3)c2)c1.

What is the InChIKey of 9-[3-[3-[(3-cyanophenyl)-diphenylsilyl]phenyl]phenyl]carbazole-3,6-dicarbonitrile?

The InChIKey is PINZGQKADDTRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N4Si/c46-29-32-10-7-18-40(24-32)50(38-14-3-1-4-15-38,39-16-5-2-6-17-39)41-19-9-12-36(28-41)35-11-8-13-37(27-35)49-44-22-20-33(30-47)25-42(44)43-26-34(31-48)21-23-45(43)49/h1-28H.

What are the key properties of 9-[3-[3-[(3-cyanophenyl)-diphenylsilyl]phenyl]phenyl]carbazole-3,6-dicarbonitrile?

9-[3-[3-[(3-cyanophenyl)-diphenylsilyl]phenyl]phenyl]carbazole-3,6-dicarbonitrile has a molecular weight of 652.83 g/mol, XLogP of 7.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-[3-[(3-cyanophenyl)-diphenylsilyl]phenyl]phenyl]carbazole-3,6-dicarbonitrile is sourced from PubChem (CID 148910617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).