diphenyl-(3-phenylphenyl)-[9-[9-(2-phenylphenyl)carbazol-2-yl]carbazol-4-yl]silane

C60H42N2Si — CID 171458387

About diphenyl-(3-phenylphenyl)-[9-[9-(2-phenylphenyl)carbazol-2-yl]carbazol-4-yl]silane

diphenyl-(3-phenylphenyl)-[9-[9-(2-phenylphenyl)carbazol-2-yl]carbazol-4-yl]silane (PubChem CID 171458387) has the molecular formula C60H42N2Si and a molecular weight of 819.10 g/mol. Its IUPAC name is diphenyl-(3-phenylphenyl)-[9-[9-(2-phenylphenyl)carbazol-2-yl]carbazol-4-yl]silane.

Molecular Properties

• Compound Name: diphenyl-(3-phenylphenyl)-[9-[9-(2-phenylphenyl)carbazol-2-yl]carbazol-4-yl]silane
• PubChem CID: 171458387
• Molecular Formula: C60H42N2Si
• Molecular Weight: 819.10 g/mol
• Exact Mass: 818.31
• IUPAC Name: diphenyl-(3-phenylphenyl)-[9-[9-(2-phenylphenyl)carbazol-2-yl]carbazol-4-yl]silane
• SMILES: c1ccc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3cccc4c3c3ccccc3n4-c3ccc4c5ccccc5n(-c5ccccc5-c5ccccc5)c4c3)c2)cc1
• InChI: InChI=1S/C60H42N2Si/c1-5-21-43(22-6-1)45-25-19-30-49(41-45)63(47-26-9-3-10-27-47,48-28-11-4-12-29-48)59-38-20-37-57-60(59)53-33-15-18-36-56(53)61(57)46-39-40-52-51-32-14-17-35-55(51)62(58(52)42-46)54-34-16-13-31-50(54)44-23-7-2-8-24-44/h1-42H
• InChIKey: AEYKTGOFQDXPSA-UHFFFAOYSA-N
• XLogP: 12.59
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	819.10
LogP ≤ 5	12.59
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 diphenyl-(3-phenylphenyl)-[9-[9-(2-phenylphenyl)carbazol-2-yl]carbazol-4-yl]silane?

The IUPAC name of diphenyl-(3-phenylphenyl)-[9-[9-(2-phenylphenyl)carbazol-2-yl]carbazol-4-yl]silane (CID 171458387) is diphenyl-(3-phenylphenyl)-[9-[9-(2-phenylphenyl)carbazol-2-yl]carbazol-4-yl]silane.

What is the SMILES notation for diphenyl-(3-phenylphenyl)-[9-[9-(2-phenylphenyl)carbazol-2-yl]carbazol-4-yl]silane?

The canonical SMILES for diphenyl-(3-phenylphenyl)-[9-[9-(2-phenylphenyl)carbazol-2-yl]carbazol-4-yl]silane is c1ccc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3cccc4c3c3ccccc3n4-c3ccc4c5ccccc5n(-c5ccccc5-c5ccccc5)c4c3)c2)cc1.

What is the InChIKey of diphenyl-(3-phenylphenyl)-[9-[9-(2-phenylphenyl)carbazol-2-yl]carbazol-4-yl]silane?

The InChIKey is AEYKTGOFQDXPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42N2Si/c1-5-21-43(22-6-1)45-25-19-30-49(41-45)63(47-26-9-3-10-27-47,48-28-11-4-12-29-48)59-38-20-37-57-60(59)53-33-15-18-36-56(53)61(57)46-39-40-52-51-32-14-17-35-55(51)62(58(52)42-46)54-34-16-13-31-50(54)44-23-7-2-8-24-44/h1-42H.

What are the key properties of diphenyl-(3-phenylphenyl)-[9-[9-(2-phenylphenyl)carbazol-2-yl]carbazol-4-yl]silane?

diphenyl-(3-phenylphenyl)-[9-[9-(2-phenylphenyl)carbazol-2-yl]carbazol-4-yl]silane has a molecular weight of 819.10 g/mol, XLogP of 12.59, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for diphenyl-(3-phenylphenyl)-[9-[9-(2-phenylphenyl)carbazol-2-yl]carbazol-4-yl]silane is sourced from PubChem (CID 171458387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).