[4-(2-carbazol-9-ylphenyl)-3-(3-carbazol-9-ylphenyl)phenyl]-diphenyl-[4-(9-phenylfluoren-9-yl)phenyl]silane

C79H54N2Si — CID 155602550

About [4-(2-carbazol-9-ylphenyl)-3-(3-carbazol-9-ylphenyl)phenyl]-diphenyl-[4-(9-phenylfluoren-9-yl)phenyl]silane

[4-(2-carbazol-9-ylphenyl)-3-(3-carbazol-9-ylphenyl)phenyl]-diphenyl-[4-(9-phenylfluoren-9-yl)phenyl]silane (PubChem CID 155602550) has the molecular formula C79H54N2Si and a molecular weight of 1059.40 g/mol. Its IUPAC name is [4-(2-carbazol-9-ylphenyl)-3-(3-carbazol-9-ylphenyl)phenyl]-diphenyl-[4-(9-phenylfluoren-9-yl)phenyl]silane.

Molecular Properties

• Compound Name: [4-(2-carbazol-9-ylphenyl)-3-(3-carbazol-9-ylphenyl)phenyl]-diphenyl-[4-(9-phenylfluoren-9-yl)phenyl]silane
• PubChem CID: 155602550
• Molecular Formula: C79H54N2Si
• Molecular Weight: 1059.40 g/mol
• Exact Mass: 1058.41
• IUPAC Name: [4-(2-carbazol-9-ylphenyl)-3-(3-carbazol-9-ylphenyl)phenyl]-diphenyl-[4-(9-phenylfluoren-9-yl)phenyl]silane
• SMILES: c1ccc(C2(c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccc(-c5ccccc5-n5c6ccccc6c6ccccc65)c(-c5cccc(-n6c7ccccc7c7ccccc76)c5)c4)cc3)c3ccccc3-c3ccccc32)cc1
• InChI: InChI=1S/C79H54N2Si/c1-4-26-56(27-5-1)79(72-40-17-10-33-64(72)65-34-11-18-41-73(65)79)57-47-49-61(50-48-57)82(59-29-6-2-7-30-59,60-31-8-3-9-32-60)62-51-52-63(66-35-12-21-44-76(66)81-77-45-22-15-38-69(77)70-39-16-23-46-78(70)81)71(54-62)55-25-24-28-58(53-55)80-74-42-19-13-36-67(74)68-37-14-20-43-75(68)80/h1-54H
• InChIKey: GXOKHOWNLHHRKW-UHFFFAOYSA-N
• XLogP: 16.96
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1059.40
LogP ≤ 5	16.96
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 [4-(2-carbazol-9-ylphenyl)-3-(3-carbazol-9-ylphenyl)phenyl]-diphenyl-[4-(9-phenylfluoren-9-yl)phenyl]silane?

The IUPAC name of [4-(2-carbazol-9-ylphenyl)-3-(3-carbazol-9-ylphenyl)phenyl]-diphenyl-[4-(9-phenylfluoren-9-yl)phenyl]silane (CID 155602550) is [4-(2-carbazol-9-ylphenyl)-3-(3-carbazol-9-ylphenyl)phenyl]-diphenyl-[4-(9-phenylfluoren-9-yl)phenyl]silane.

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

The canonical SMILES for [4-(2-carbazol-9-ylphenyl)-3-(3-carbazol-9-ylphenyl)phenyl]-diphenyl-[4-(9-phenylfluoren-9-yl)phenyl]silane is c1ccc(C2(c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccc(-c5ccccc5-n5c6ccccc6c6ccccc65)c(-c5cccc(-n6c7ccccc7c7ccccc76)c5)c4)cc3)c3ccccc3-c3ccccc32)cc1.

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

The InChIKey is GXOKHOWNLHHRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H54N2Si/c1-4-26-56(27-5-1)79(72-40-17-10-33-64(72)65-34-11-18-41-73(65)79)57-47-49-61(50-48-57)82(59-29-6-2-7-30-59,60-31-8-3-9-32-60)62-51-52-63(66-35-12-21-44-76(66)81-77-45-22-15-38-69(77)70-39-16-23-46-78(70)81)71(54-62)55-25-24-28-58(53-55)80-74-42-19-13-36-67(74)68-37-14-20-43-75(68)80/h1-54H.

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

[4-(2-carbazol-9-ylphenyl)-3-(3-carbazol-9-ylphenyl)phenyl]-diphenyl-[4-(9-phenylfluoren-9-yl)phenyl]silane has a molecular weight of 1059.40 g/mol, XLogP of 16.96, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(2-carbazol-9-ylphenyl)-3-(3-carbazol-9-ylphenyl)phenyl]-diphenyl-[4-(9-phenylfluoren-9-yl)phenyl]silane is sourced from PubChem (CID 155602550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).