triphenyl-[3-[3-phenyl-5-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]phenyl]silane

C74H50N4Si — CID 123834710

About triphenyl-[3-[3-phenyl-5-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]phenyl]silane

triphenyl-[3-[3-phenyl-5-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]phenyl]silane (PubChem CID 123834710) has the molecular formula C74H50N4Si and a molecular weight of 1023.33 g/mol. Its IUPAC name is triphenyl-[3-[3-phenyl-5-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]phenyl]silane.

Molecular Properties

• Compound Name: triphenyl-[3-[3-phenyl-5-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]phenyl]silane
• PubChem CID: 123834710
• Molecular Formula: C74H50N4Si
• Molecular Weight: 1023.33 g/mol
• Exact Mass: 1022.38
• IUPAC Name: triphenyl-[3-[3-phenyl-5-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]phenyl]silane
• SMILES: c1ccc(-c2cc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)cc(-c3nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)nc4ccccc34)c2)cc1
• InChI: InChI=1S/C74H50N4Si/c1-6-23-51(24-7-1)55-45-56(52-25-22-34-62(48-52)79(59-28-10-3-11-29-59,60-30-12-4-13-31-60)61-32-14-5-15-33-61)47-57(46-55)73-65-37-16-19-38-68(65)75-74(76-73)78-70-40-21-18-36-64(70)67-50-54(42-44-72(67)78)53-41-43-71-66(49-53)63-35-17-20-39-69(63)77(71)58-26-8-2-9-27-58/h1-50H
• InChIKey: WSQQSWFQXGWKDK-UHFFFAOYSA-N
• XLogP: 15.87
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1023.33
LogP ≤ 5	15.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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-phenyl-5-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]phenyl]silane?

The IUPAC name of triphenyl-[3-[3-phenyl-5-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]phenyl]silane (CID 123834710) is triphenyl-[3-[3-phenyl-5-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]phenyl]silane.

What is the SMILES notation for triphenyl-[3-[3-phenyl-5-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]phenyl]silane?

The canonical SMILES for triphenyl-[3-[3-phenyl-5-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]phenyl]silane is c1ccc(-c2cc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)cc(-c3nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)nc4ccccc34)c2)cc1.

What is the InChIKey of triphenyl-[3-[3-phenyl-5-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]phenyl]silane?

The InChIKey is WSQQSWFQXGWKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H50N4Si/c1-6-23-51(24-7-1)55-45-56(52-25-22-34-62(48-52)79(59-28-10-3-11-29-59,60-30-12-4-13-31-60)61-32-14-5-15-33-61)47-57(46-55)73-65-37-16-19-38-68(65)75-74(76-73)78-70-40-21-18-36-64(70)67-50-54(42-44-72(67)78)53-41-43-71-66(49-53)63-35-17-20-39-69(63)77(71)58-26-8-2-9-27-58/h1-50H.

What are the key properties of triphenyl-[3-[3-phenyl-5-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]phenyl]silane?

triphenyl-[3-[3-phenyl-5-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]phenyl]silane has a molecular weight of 1023.33 g/mol, XLogP of 15.87, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for triphenyl-[3-[3-phenyl-5-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]phenyl]silane is sourced from PubChem (CID 123834710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).