2,7,7-triphenyl-5-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]-[1]benzosilolo[2,3-b]carbazole

C66H44N2Si — CID 90337243

About 2,7,7-triphenyl-5-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]-[1]benzosilolo[2,3-b]carbazole

2,7,7-triphenyl-5-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]-[1]benzosilolo[2,3-b]carbazole (PubChem CID 90337243) has the molecular formula C66H44N2Si and a molecular weight of 893.18 g/mol. Its IUPAC name is 2,7,7-triphenyl-5-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]-[1]benzosilolo[2,3-b]carbazole.

Molecular Properties

• Compound Name: 2,7,7-triphenyl-5-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]-[1]benzosilolo[2,3-b]carbazole
• PubChem CID: 90337243
• Molecular Formula: C66H44N2Si
• Molecular Weight: 893.18 g/mol
• Exact Mass: 892.33
• IUPAC Name: 2,7,7-triphenyl-5-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]-[1]benzosilolo[2,3-b]carbazole
• SMILES: c1ccc(-c2ccc(-n3c4ccc(-c5ccccc5)cc4c4cc(-n5c6ccc(-c7ccccc7)cc6c6cc7c(cc65)[Si](c5ccccc5)(c5ccccc5)c5ccccc5-7)ccc43)cc2)cc1
• InChI: InChI=1S/C66H44N2Si/c1-6-18-45(19-7-1)48-30-34-51(35-31-48)67-61-37-32-49(46-20-8-2-9-21-46)40-56(61)58-42-52(36-39-63(58)67)68-62-38-33-50(47-22-10-3-11-23-47)41-57(62)59-43-60-55-28-16-17-29-65(55)69(66(60)44-64(59)68,53-24-12-4-13-25-53)54-26-14-5-15-27-54/h1-44H
• InChIKey: ANGOZJDZCXDSBT-UHFFFAOYSA-N
• XLogP: 14.24
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	893.18
LogP ≤ 5	14.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,7,7-triphenyl-5-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]-[1]benzosilolo[2,3-b]carbazole?

The IUPAC name of 2,7,7-triphenyl-5-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]-[1]benzosilolo[2,3-b]carbazole (CID 90337243) is 2,7,7-triphenyl-5-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]-[1]benzosilolo[2,3-b]carbazole.

What is the SMILES notation for 2,7,7-triphenyl-5-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]-[1]benzosilolo[2,3-b]carbazole?

The canonical SMILES for 2,7,7-triphenyl-5-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]-[1]benzosilolo[2,3-b]carbazole is c1ccc(-c2ccc(-n3c4ccc(-c5ccccc5)cc4c4cc(-n5c6ccc(-c7ccccc7)cc6c6cc7c(cc65)[Si](c5ccccc5)(c5ccccc5)c5ccccc5-7)ccc43)cc2)cc1.

What is the InChIKey of 2,7,7-triphenyl-5-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]-[1]benzosilolo[2,3-b]carbazole?

The InChIKey is ANGOZJDZCXDSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H44N2Si/c1-6-18-45(19-7-1)48-30-34-51(35-31-48)67-61-37-32-49(46-20-8-2-9-21-46)40-56(61)58-42-52(36-39-63(58)67)68-62-38-33-50(47-22-10-3-11-23-47)41-57(62)59-43-60-55-28-16-17-29-65(55)69(66(60)44-64(59)68,53-24-12-4-13-25-53)54-26-14-5-15-27-54/h1-44H.

What are the key properties of 2,7,7-triphenyl-5-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]-[1]benzosilolo[2,3-b]carbazole?

2,7,7-triphenyl-5-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]-[1]benzosilolo[2,3-b]carbazole has a molecular weight of 893.18 g/mol, XLogP of 14.24, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2,7,7-triphenyl-5-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]-[1]benzosilolo[2,3-b]carbazole is sourced from PubChem (CID 90337243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).