[3-[4-[3-carbazol-9-yl-5-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]phenyl]-triphenylsilane

C72H49N3Si — CID 176785025

About [3-[4-[3-carbazol-9-yl-5-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]phenyl]-triphenylsilane

[3-[4-[3-carbazol-9-yl-5-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]phenyl]-triphenylsilane (PubChem CID 176785025) has the molecular formula C72H49N3Si and a molecular weight of 984.29 g/mol. Its IUPAC name is [3-[4-[3-carbazol-9-yl-5-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]phenyl]-triphenylsilane.

Molecular Properties

• Compound Name: [3-[4-[3-carbazol-9-yl-5-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]phenyl]-triphenylsilane
• PubChem CID: 176785025
• Molecular Formula: C72H49N3Si
• Molecular Weight: 984.29 g/mol
• Exact Mass: 983.37
• IUPAC Name: [3-[4-[3-carbazol-9-yl-5-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]phenyl]-triphenylsilane
• SMILES: c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3ccc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)c4)cc3)c2)cc1
• InChI: InChI=1S/C72H49N3Si/c1-4-22-57(23-5-1)76(58-24-6-2-7-25-58,59-26-8-3-9-27-59)60-28-20-21-52(47-60)50-39-41-51(42-40-50)53-45-55(74-69-36-17-12-31-63(69)64-32-13-18-37-70(64)74)48-56(46-53)75-71-38-19-14-33-65(71)66-49-54(43-44-72(66)75)73-67-34-15-10-29-61(67)62-30-11-16-35-68(62)73/h1-49H
• InChIKey: ZLWCUINQEOMXJZ-UHFFFAOYSA-N
• XLogP: 15.69
• TPSA: 14.79 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	984.29
LogP ≤ 5	15.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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-[4-[3-carbazol-9-yl-5-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]phenyl]-triphenylsilane?

The IUPAC name of [3-[4-[3-carbazol-9-yl-5-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]phenyl]-triphenylsilane (CID 176785025) is [3-[4-[3-carbazol-9-yl-5-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]phenyl]-triphenylsilane.

What is the SMILES notation for [3-[4-[3-carbazol-9-yl-5-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]phenyl]-triphenylsilane?

The canonical SMILES for [3-[4-[3-carbazol-9-yl-5-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]phenyl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3ccc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)c4)cc3)c2)cc1.

What is the InChIKey of [3-[4-[3-carbazol-9-yl-5-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]phenyl]-triphenylsilane?

The InChIKey is ZLWCUINQEOMXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H49N3Si/c1-4-22-57(23-5-1)76(58-24-6-2-7-25-58,59-26-8-3-9-27-59)60-28-20-21-52(47-60)50-39-41-51(42-40-50)53-45-55(74-69-36-17-12-31-63(69)64-32-13-18-37-70(64)74)48-56(46-53)75-71-38-19-14-33-65(71)66-49-54(43-44-72(66)75)73-67-34-15-10-29-61(67)62-30-11-16-35-68(62)73/h1-49H.

What are the key properties of [3-[4-[3-carbazol-9-yl-5-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]phenyl]-triphenylsilane?

[3-[4-[3-carbazol-9-yl-5-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]phenyl]-triphenylsilane has a molecular weight of 984.29 g/mol, XLogP of 15.69, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[4-[3-carbazol-9-yl-5-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]phenyl]-triphenylsilane is sourced from PubChem (CID 176785025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).