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

C84H57N3Si — CID 168762463

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

[4-[3-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]carbazol-9-yl]-3,5-diphenylphenyl]-diphenyl-(3-phenylphenyl)silane (PubChem CID 168762463) has the molecular formula C84H57N3Si and a molecular weight of 1136.49 g/mol. Its IUPAC name is [4-[3-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]carbazol-9-yl]-3,5-diphenylphenyl]-diphenyl-(3-phenylphenyl)silane.

Molecular Properties

• Compound Name: [4-[3-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]carbazol-9-yl]-3,5-diphenylphenyl]-diphenyl-(3-phenylphenyl)silane
• PubChem CID: 168762463
• Molecular Formula: C84H57N3Si
• Molecular Weight: 1136.49 g/mol
• Exact Mass: 1135.43
• IUPAC Name: [4-[3-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]carbazol-9-yl]-3,5-diphenylphenyl]-diphenyl-(3-phenylphenyl)silane
• SMILES: c1ccc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3cc(-c4ccccc4)c(-n4c5ccccc5c5cc(-c6ccccc6-n6c7ccccc7c7cc(-n8c9ccccc9c9ccccc98)ccc76)ccc54)c(-c4ccccc4)c3)c2)cc1
• InChI: InChI=1S/C84H57N3Si/c1-6-27-58(28-7-1)61-33-26-38-66(53-61)88(64-34-12-4-13-35-64,65-36-14-5-15-37-65)67-56-73(59-29-8-2-9-30-59)84(74(57-67)60-31-10-3-11-32-60)87-81-48-25-20-42-71(81)75-54-62(49-51-83(75)87)68-39-16-21-44-77(68)86-80-47-24-19-43-72(80)76-55-63(50-52-82(76)86)85-78-45-22-17-40-69(78)70-41-18-23-46-79(70)85/h1-57H
• InChIKey: YKTZHESDKUYDEM-UHFFFAOYSA-N
• XLogP: 19.02
• TPSA: 14.79 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 11
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1136.49
LogP ≤ 5	19.02
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 [4-[3-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]carbazol-9-yl]-3,5-diphenylphenyl]-diphenyl-(3-phenylphenyl)silane?

The IUPAC name of [4-[3-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]carbazol-9-yl]-3,5-diphenylphenyl]-diphenyl-(3-phenylphenyl)silane (CID 168762463) is [4-[3-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]carbazol-9-yl]-3,5-diphenylphenyl]-diphenyl-(3-phenylphenyl)silane.

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

The canonical SMILES for [4-[3-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]carbazol-9-yl]-3,5-diphenylphenyl]-diphenyl-(3-phenylphenyl)silane is c1ccc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3cc(-c4ccccc4)c(-n4c5ccccc5c5cc(-c6ccccc6-n6c7ccccc7c7cc(-n8c9ccccc9c9ccccc98)ccc76)ccc54)c(-c4ccccc4)c3)c2)cc1.

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

The InChIKey is YKTZHESDKUYDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H57N3Si/c1-6-27-58(28-7-1)61-33-26-38-66(53-61)88(64-34-12-4-13-35-64,65-36-14-5-15-37-65)67-56-73(59-29-8-2-9-30-59)84(74(57-67)60-31-10-3-11-32-60)87-81-48-25-20-42-71(81)75-54-62(49-51-83(75)87)68-39-16-21-44-77(68)86-80-47-24-19-43-72(80)76-55-63(50-52-82(76)86)85-78-45-22-17-40-69(78)70-41-18-23-46-79(70)85/h1-57H.

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

[4-[3-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]carbazol-9-yl]-3,5-diphenylphenyl]-diphenyl-(3-phenylphenyl)silane has a molecular weight of 1136.49 g/mol, XLogP of 19.02, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[3-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]carbazol-9-yl]-3,5-diphenylphenyl]-diphenyl-(3-phenylphenyl)silane is sourced from PubChem (CID 168762463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).