[4-[3-[9-(2,6-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]-3,5-diphenylphenyl]-diphenyl-(4-phenylphenyl)silane

C84H58N2Si — CID 168762556

About [4-[3-[9-(2,6-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]-3,5-diphenylphenyl]-diphenyl-(4-phenylphenyl)silane

[4-[3-[9-(2,6-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]-3,5-diphenylphenyl]-diphenyl-(4-phenylphenyl)silane (PubChem CID 168762556) has the molecular formula C84H58N2Si and a molecular weight of 1123.49 g/mol. Its IUPAC name is [4-[3-[9-(2,6-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]-3,5-diphenylphenyl]-diphenyl-(4-phenylphenyl)silane.

Molecular Properties

• Compound Name: [4-[3-[9-(2,6-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]-3,5-diphenylphenyl]-diphenyl-(4-phenylphenyl)silane
• PubChem CID: 168762556
• Molecular Formula: C84H58N2Si
• Molecular Weight: 1123.49 g/mol
• Exact Mass: 1122.44
• IUPAC Name: [4-[3-[9-(2,6-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]-3,5-diphenylphenyl]-diphenyl-(4-phenylphenyl)silane
• SMILES: c1ccc(-c2ccc([Si](c3ccccc3)(c3ccccc3)c3cc(-c4ccccc4)c(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6c(-c7ccccc7)cccc6-c6ccccc6)ccc54)c(-c4ccccc4)c3)cc2)cc1
• InChI: InChI=1S/C84H58N2Si/c1-8-27-59(28-9-1)60-47-51-69(52-48-60)87(67-37-18-6-19-38-67,68-39-20-7-21-40-68)70-57-75(63-33-14-4-15-34-63)84(76(58-70)64-35-16-5-17-36-64)86-80-46-25-23-42-74(80)78-56-66(50-54-82(78)86)65-49-53-81-77(55-65)73-41-22-24-45-79(73)85(81)83-71(61-29-10-2-11-30-61)43-26-44-72(83)62-31-12-3-13-32-62/h1-58H
• InChIKey: YICFHLJNEMXHHN-UHFFFAOYSA-N
• XLogP: 19.26
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 12
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1123.49
LogP ≤ 5	19.26
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-[3-[9-(2,6-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]-3,5-diphenylphenyl]-diphenyl-(4-phenylphenyl)silane?

The IUPAC name of [4-[3-[9-(2,6-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]-3,5-diphenylphenyl]-diphenyl-(4-phenylphenyl)silane (CID 168762556) is [4-[3-[9-(2,6-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]-3,5-diphenylphenyl]-diphenyl-(4-phenylphenyl)silane.

What is the SMILES notation for [4-[3-[9-(2,6-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]-3,5-diphenylphenyl]-diphenyl-(4-phenylphenyl)silane?

The canonical SMILES for [4-[3-[9-(2,6-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]-3,5-diphenylphenyl]-diphenyl-(4-phenylphenyl)silane is c1ccc(-c2ccc([Si](c3ccccc3)(c3ccccc3)c3cc(-c4ccccc4)c(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6c(-c7ccccc7)cccc6-c6ccccc6)ccc54)c(-c4ccccc4)c3)cc2)cc1.

What is the InChIKey of [4-[3-[9-(2,6-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]-3,5-diphenylphenyl]-diphenyl-(4-phenylphenyl)silane?

The InChIKey is YICFHLJNEMXHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H58N2Si/c1-8-27-59(28-9-1)60-47-51-69(52-48-60)87(67-37-18-6-19-38-67,68-39-20-7-21-40-68)70-57-75(63-33-14-4-15-34-63)84(76(58-70)64-35-16-5-17-36-64)86-80-46-25-23-42-74(80)78-56-66(50-54-82(78)86)65-49-53-81-77(55-65)73-41-22-24-45-79(73)85(81)83-71(61-29-10-2-11-30-61)43-26-44-72(83)62-31-12-3-13-32-62/h1-58H.

What are the key properties of [4-[3-[9-(2,6-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]-3,5-diphenylphenyl]-diphenyl-(4-phenylphenyl)silane?

[4-[3-[9-(2,6-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]-3,5-diphenylphenyl]-diphenyl-(4-phenylphenyl)silane has a molecular weight of 1123.49 g/mol, XLogP of 19.26, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[3-[9-(2,6-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]-3,5-diphenylphenyl]-diphenyl-(4-phenylphenyl)silane is sourced from PubChem (CID 168762556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).