[1-carbazol-9-yl-6-phenyl-9-(9-phenylcarbazol-2-yl)carbazol-4-yl]-triphenylsilane

C66H45N3Si — CID 170515424

About [1-carbazol-9-yl-6-phenyl-9-(9-phenylcarbazol-2-yl)carbazol-4-yl]-triphenylsilane

[1-carbazol-9-yl-6-phenyl-9-(9-phenylcarbazol-2-yl)carbazol-4-yl]-triphenylsilane (PubChem CID 170515424) has the molecular formula C66H45N3Si and a molecular weight of 908.19 g/mol. Its IUPAC name is [1-carbazol-9-yl-6-phenyl-9-(9-phenylcarbazol-2-yl)carbazol-4-yl]-triphenylsilane.

Molecular Properties

• Compound Name: [1-carbazol-9-yl-6-phenyl-9-(9-phenylcarbazol-2-yl)carbazol-4-yl]-triphenylsilane
• PubChem CID: 170515424
• Molecular Formula: C66H45N3Si
• Molecular Weight: 908.19 g/mol
• Exact Mass: 907.34
• IUPAC Name: [1-carbazol-9-yl-6-phenyl-9-(9-phenylcarbazol-2-yl)carbazol-4-yl]-triphenylsilane
• SMILES: c1ccc(-c2ccc3c(c2)c2c([Si](c4ccccc4)(c4ccccc4)c4ccccc4)ccc(-n4c5ccccc5c5ccccc54)c2n3-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1
• InChI: InChI=1S/C66H45N3Si/c1-6-22-46(23-7-1)47-38-41-61-57(44-47)65-64(70(50-26-10-3-11-27-50,51-28-12-4-13-29-51)52-30-14-5-15-31-52)43-42-62(69-59-36-20-17-32-53(59)54-33-18-21-37-60(54)69)66(65)68(61)49-39-40-56-55-34-16-19-35-58(55)67(63(56)45-49)48-24-8-2-9-25-48/h1-45H
• InChIKey: WKLQKIWENXGZMQ-UHFFFAOYSA-N
• XLogP: 14.02
• TPSA: 14.79 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	908.19
LogP ≤ 5	14.02
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 [1-carbazol-9-yl-6-phenyl-9-(9-phenylcarbazol-2-yl)carbazol-4-yl]-triphenylsilane?

The IUPAC name of [1-carbazol-9-yl-6-phenyl-9-(9-phenylcarbazol-2-yl)carbazol-4-yl]-triphenylsilane (CID 170515424) is [1-carbazol-9-yl-6-phenyl-9-(9-phenylcarbazol-2-yl)carbazol-4-yl]-triphenylsilane.

What is the SMILES notation for [1-carbazol-9-yl-6-phenyl-9-(9-phenylcarbazol-2-yl)carbazol-4-yl]-triphenylsilane?

The canonical SMILES for [1-carbazol-9-yl-6-phenyl-9-(9-phenylcarbazol-2-yl)carbazol-4-yl]-triphenylsilane is c1ccc(-c2ccc3c(c2)c2c([Si](c4ccccc4)(c4ccccc4)c4ccccc4)ccc(-n4c5ccccc5c5ccccc54)c2n3-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1.

What is the InChIKey of [1-carbazol-9-yl-6-phenyl-9-(9-phenylcarbazol-2-yl)carbazol-4-yl]-triphenylsilane?

The InChIKey is WKLQKIWENXGZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H45N3Si/c1-6-22-46(23-7-1)47-38-41-61-57(44-47)65-64(70(50-26-10-3-11-27-50,51-28-12-4-13-29-51)52-30-14-5-15-31-52)43-42-62(69-59-36-20-17-32-53(59)54-33-18-21-37-60(54)69)66(65)68(61)49-39-40-56-55-34-16-19-35-58(55)67(63(56)45-49)48-24-8-2-9-25-48/h1-45H.

What are the key properties of [1-carbazol-9-yl-6-phenyl-9-(9-phenylcarbazol-2-yl)carbazol-4-yl]-triphenylsilane?

[1-carbazol-9-yl-6-phenyl-9-(9-phenylcarbazol-2-yl)carbazol-4-yl]-triphenylsilane has a molecular weight of 908.19 g/mol, XLogP of 14.02, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [1-carbazol-9-yl-6-phenyl-9-(9-phenylcarbazol-2-yl)carbazol-4-yl]-triphenylsilane is sourced from PubChem (CID 170515424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).