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

C61H43NSi — CID 155602586

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

[3-(3-carbazol-9-ylphenyl)phenyl]-diphenyl-[3-(9-phenylfluoren-9-yl)phenyl]silane (PubChem CID 155602586) has the molecular formula C61H43NSi and a molecular weight of 818.11 g/mol. Its IUPAC name is [3-(3-carbazol-9-ylphenyl)phenyl]-diphenyl-[3-(9-phenylfluoren-9-yl)phenyl]silane.

Molecular Properties

• Compound Name: [3-(3-carbazol-9-ylphenyl)phenyl]-diphenyl-[3-(9-phenylfluoren-9-yl)phenyl]silane
• PubChem CID: 155602586
• Molecular Formula: C61H43NSi
• Molecular Weight: 818.11 g/mol
• Exact Mass: 817.32
• IUPAC Name: [3-(3-carbazol-9-ylphenyl)phenyl]-diphenyl-[3-(9-phenylfluoren-9-yl)phenyl]silane
• SMILES: c1ccc(C2(c3cccc([Si](c4ccccc4)(c4ccccc4)c4cccc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)c4)c3)c3ccccc3-c3ccccc32)cc1
• InChI: InChI=1S/C61H43NSi/c1-4-23-46(24-5-1)61(57-37-14-10-33-53(57)54-34-11-15-38-58(54)61)47-25-20-32-52(43-47)63(49-27-6-2-7-28-49,50-29-8-3-9-30-50)51-31-19-22-45(42-51)44-21-18-26-48(41-44)62-59-39-16-12-35-55(59)56-36-13-17-40-60(56)62/h1-43H
• InChIKey: UHURRWMUAOBQKI-UHFFFAOYSA-N
• XLogP: 12.19
• TPSA: 4.93 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 8
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	818.11
LogP ≤ 5	12.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

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

The IUPAC name of [3-(3-carbazol-9-ylphenyl)phenyl]-diphenyl-[3-(9-phenylfluoren-9-yl)phenyl]silane (CID 155602586) is [3-(3-carbazol-9-ylphenyl)phenyl]-diphenyl-[3-(9-phenylfluoren-9-yl)phenyl]silane.

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

The canonical SMILES for [3-(3-carbazol-9-ylphenyl)phenyl]-diphenyl-[3-(9-phenylfluoren-9-yl)phenyl]silane is c1ccc(C2(c3cccc([Si](c4ccccc4)(c4ccccc4)c4cccc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)c4)c3)c3ccccc3-c3ccccc32)cc1.

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

The InChIKey is UHURRWMUAOBQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H43NSi/c1-4-23-46(24-5-1)61(57-37-14-10-33-53(57)54-34-11-15-38-58(54)61)47-25-20-32-52(43-47)63(49-27-6-2-7-28-49,50-29-8-3-9-30-50)51-31-19-22-45(42-51)44-21-18-26-48(41-44)62-59-39-16-12-35-55(59)56-36-13-17-40-60(56)62/h1-43H.

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

[3-(3-carbazol-9-ylphenyl)phenyl]-diphenyl-[3-(9-phenylfluoren-9-yl)phenyl]silane has a molecular weight of 818.11 g/mol, XLogP of 12.19, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(3-carbazol-9-ylphenyl)phenyl]-diphenyl-[3-(9-phenylfluoren-9-yl)phenyl]silane is sourced from PubChem (CID 155602586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).