6-[diphenyl-(4-phenylphenyl)silyl]-9-phenylcarbazole-3-carbonitrile

C43H30N2Si — CID 157198275

About 6-[diphenyl-(4-phenylphenyl)silyl]-9-phenylcarbazole-3-carbonitrile

6-[diphenyl-(4-phenylphenyl)silyl]-9-phenylcarbazole-3-carbonitrile (PubChem CID 157198275) has the molecular formula C43H30N2Si and a molecular weight of 602.81 g/mol. Its IUPAC name is 6-[diphenyl-(4-phenylphenyl)silyl]-9-phenylcarbazole-3-carbonitrile.

Molecular Properties

• Compound Name: 6-[diphenyl-(4-phenylphenyl)silyl]-9-phenylcarbazole-3-carbonitrile
• PubChem CID: 157198275
• Molecular Formula: C43H30N2Si
• Molecular Weight: 602.81 g/mol
• Exact Mass: 602.22
• IUPAC Name: 6-[diphenyl-(4-phenylphenyl)silyl]-9-phenylcarbazole-3-carbonitrile
• SMILES: N#Cc1ccc2c(c1)c1cc([Si](c3ccccc3)(c3ccccc3)c3ccc(-c4ccccc4)cc3)ccc1n2-c1ccccc1
• InChI: InChI=1S/C43H30N2Si/c44-31-32-21-27-42-40(29-32)41-30-39(26-28-43(41)45(42)35-15-7-2-8-16-35)46(36-17-9-3-10-18-36,37-19-11-4-12-20-37)38-24-22-34(23-25-38)33-13-5-1-6-14-33/h1-30H
• InChIKey: LIOOBASNOANHEM-UHFFFAOYSA-N
• XLogP: 7.70
• TPSA: 28.72 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	602.81
LogP ≤ 5	7.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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 6-[diphenyl-(4-phenylphenyl)silyl]-9-phenylcarbazole-3-carbonitrile?

The IUPAC name of 6-[diphenyl-(4-phenylphenyl)silyl]-9-phenylcarbazole-3-carbonitrile (CID 157198275) is 6-[diphenyl-(4-phenylphenyl)silyl]-9-phenylcarbazole-3-carbonitrile.

What is the SMILES notation for 6-[diphenyl-(4-phenylphenyl)silyl]-9-phenylcarbazole-3-carbonitrile?

The canonical SMILES for 6-[diphenyl-(4-phenylphenyl)silyl]-9-phenylcarbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1cc([Si](c3ccccc3)(c3ccccc3)c3ccc(-c4ccccc4)cc3)ccc1n2-c1ccccc1.

What is the InChIKey of 6-[diphenyl-(4-phenylphenyl)silyl]-9-phenylcarbazole-3-carbonitrile?

The InChIKey is LIOOBASNOANHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30N2Si/c44-31-32-21-27-42-40(29-32)41-30-39(26-28-43(41)45(42)35-15-7-2-8-16-35)46(36-17-9-3-10-18-36,37-19-11-4-12-20-37)38-24-22-34(23-25-38)33-13-5-1-6-14-33/h1-30H.

What are the key properties of 6-[diphenyl-(4-phenylphenyl)silyl]-9-phenylcarbazole-3-carbonitrile?

6-[diphenyl-(4-phenylphenyl)silyl]-9-phenylcarbazole-3-carbonitrile has a molecular weight of 602.81 g/mol, XLogP of 7.70, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[diphenyl-(4-phenylphenyl)silyl]-9-phenylcarbazole-3-carbonitrile is sourced from PubChem (CID 157198275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).