triphenyl-[3-[3-[3-(9-phenylcarbazol-3-yl)-6-(3-phenylphenyl)carbazol-9-yl]phenyl]phenyl]silane

C72H50N2Si — CID 166589020

About triphenyl-[3-[3-[3-(9-phenylcarbazol-3-yl)-6-(3-phenylphenyl)carbazol-9-yl]phenyl]phenyl]silane

triphenyl-[3-[3-[3-(9-phenylcarbazol-3-yl)-6-(3-phenylphenyl)carbazol-9-yl]phenyl]phenyl]silane (PubChem CID 166589020) has the molecular formula C72H50N2Si and a molecular weight of 971.29 g/mol. Its IUPAC name is triphenyl-[3-[3-[3-(9-phenylcarbazol-3-yl)-6-(3-phenylphenyl)carbazol-9-yl]phenyl]phenyl]silane.

Molecular Properties

• Compound Name: triphenyl-[3-[3-[3-(9-phenylcarbazol-3-yl)-6-(3-phenylphenyl)carbazol-9-yl]phenyl]phenyl]silane
• PubChem CID: 166589020
• Molecular Formula: C72H50N2Si
• Molecular Weight: 971.29 g/mol
• Exact Mass: 970.37
• IUPAC Name: triphenyl-[3-[3-[3-(9-phenylcarbazol-3-yl)-6-(3-phenylphenyl)carbazol-9-yl]phenyl]phenyl]silane
• SMILES: c1ccc(-c2cccc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc3n4-c3cccc(-c4cccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)c4)c3)c2)cc1
• InChI: InChI=1S/C72H50N2Si/c1-6-21-51(22-7-1)52-23-18-24-53(45-52)56-39-43-71-67(49-56)68-50-58(57-40-42-70-66(48-57)65-37-16-17-38-69(65)73(70)59-27-8-2-9-28-59)41-44-72(68)74(71)60-29-19-25-54(46-60)55-26-20-36-64(47-55)75(61-30-10-3-11-31-61,62-32-12-4-13-33-62)63-34-14-5-15-35-63/h1-50H
• InChIKey: MTYAJFDZOOFKPA-UHFFFAOYSA-N
• XLogP: 15.93
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	971.29
LogP ≤ 5	15.93
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-[3-(9-phenylcarbazol-3-yl)-6-(3-phenylphenyl)carbazol-9-yl]phenyl]phenyl]silane?

The IUPAC name of triphenyl-[3-[3-[3-(9-phenylcarbazol-3-yl)-6-(3-phenylphenyl)carbazol-9-yl]phenyl]phenyl]silane (CID 166589020) is triphenyl-[3-[3-[3-(9-phenylcarbazol-3-yl)-6-(3-phenylphenyl)carbazol-9-yl]phenyl]phenyl]silane.

What is the SMILES notation for triphenyl-[3-[3-[3-(9-phenylcarbazol-3-yl)-6-(3-phenylphenyl)carbazol-9-yl]phenyl]phenyl]silane?

The canonical SMILES for triphenyl-[3-[3-[3-(9-phenylcarbazol-3-yl)-6-(3-phenylphenyl)carbazol-9-yl]phenyl]phenyl]silane is c1ccc(-c2cccc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc3n4-c3cccc(-c4cccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)c4)c3)c2)cc1.

What is the InChIKey of triphenyl-[3-[3-[3-(9-phenylcarbazol-3-yl)-6-(3-phenylphenyl)carbazol-9-yl]phenyl]phenyl]silane?

The InChIKey is MTYAJFDZOOFKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H50N2Si/c1-6-21-51(22-7-1)52-23-18-24-53(45-52)56-39-43-71-67(49-56)68-50-58(57-40-42-70-66(48-57)65-37-16-17-38-69(65)73(70)59-27-8-2-9-28-59)41-44-72(68)74(71)60-29-19-25-54(46-60)55-26-20-36-64(47-55)75(61-30-10-3-11-31-61,62-32-12-4-13-33-62)63-34-14-5-15-35-63/h1-50H.

What are the key properties of triphenyl-[3-[3-[3-(9-phenylcarbazol-3-yl)-6-(3-phenylphenyl)carbazol-9-yl]phenyl]phenyl]silane?

triphenyl-[3-[3-[3-(9-phenylcarbazol-3-yl)-6-(3-phenylphenyl)carbazol-9-yl]phenyl]phenyl]silane has a molecular weight of 971.29 g/mol, XLogP of 15.93, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for triphenyl-[3-[3-[3-(9-phenylcarbazol-3-yl)-6-(3-phenylphenyl)carbazol-9-yl]phenyl]phenyl]silane is sourced from PubChem (CID 166589020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).