triphenyl-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]cyclohexa-1,5-dien-1-yl]silane

C60H44N2Si — CID 144943176

About triphenyl-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]cyclohexa-1,5-dien-1-yl]silane

triphenyl-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]cyclohexa-1,5-dien-1-yl]silane (PubChem CID 144943176) has the molecular formula C60H44N2Si and a molecular weight of 821.11 g/mol. Its IUPAC name is triphenyl-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]cyclohexa-1,5-dien-1-yl]silane.

Molecular Properties

• Compound Name: triphenyl-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]cyclohexa-1,5-dien-1-yl]silane
• PubChem CID: 144943176
• Molecular Formula: C60H44N2Si
• Molecular Weight: 821.11 g/mol
• Exact Mass: 820.33
• IUPAC Name: triphenyl-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]cyclohexa-1,5-dien-1-yl]silane
• SMILES: C1=CC([Si](c2ccccc2)(c2ccccc2)c2ccccc2)=CC(n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5ccccc5)c4)ccc32)C1
• InChI: InChI=1S/C60H44N2Si/c1-5-19-43(20-6-1)44-21-17-22-47(39-44)61-57-33-15-13-31-53(57)55-40-45(35-37-59(55)61)46-36-38-60-56(41-46)54-32-14-16-34-58(54)62(60)48-23-18-30-52(42-48)63(49-24-7-2-8-25-49,50-26-9-3-10-27-50)51-28-11-4-12-29-51/h1-22,24-42,48H,23H2
• InChIKey: PDKMZDBDMXOKIT-UHFFFAOYSA-N
• XLogP: 13.36
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	821.11
LogP ≤ 5	13.36
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 triphenyl-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]cyclohexa-1,5-dien-1-yl]silane?

The IUPAC name of triphenyl-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]cyclohexa-1,5-dien-1-yl]silane (CID 144943176) is triphenyl-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]cyclohexa-1,5-dien-1-yl]silane.

What is the SMILES notation for triphenyl-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]cyclohexa-1,5-dien-1-yl]silane?

The canonical SMILES for triphenyl-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]cyclohexa-1,5-dien-1-yl]silane is C1=CC([Si](c2ccccc2)(c2ccccc2)c2ccccc2)=CC(n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5ccccc5)c4)ccc32)C1.

What is the InChIKey of triphenyl-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]cyclohexa-1,5-dien-1-yl]silane?

The InChIKey is PDKMZDBDMXOKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H44N2Si/c1-5-19-43(20-6-1)44-21-17-22-47(39-44)61-57-33-15-13-31-53(57)55-40-45(35-37-59(55)61)46-36-38-60-56(41-46)54-32-14-16-34-58(54)62(60)48-23-18-30-52(42-48)63(49-24-7-2-8-25-49,50-26-9-3-10-27-50)51-28-11-4-12-29-51/h1-22,24-42,48H,23H2.

What are the key properties of triphenyl-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]cyclohexa-1,5-dien-1-yl]silane?

triphenyl-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]cyclohexa-1,5-dien-1-yl]silane has a molecular weight of 821.11 g/mol, XLogP of 13.36, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for triphenyl-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]cyclohexa-1,5-dien-1-yl]silane is sourced from PubChem (CID 144943176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).