triphenyl-[3-[3-[3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazol-9-yl]phenyl]phenyl]silane

C72H50N2Si — CID 140782755

About triphenyl-[3-[3-[3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazol-9-yl]phenyl]phenyl]silane

triphenyl-[3-[3-[3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazol-9-yl]phenyl]phenyl]silane (PubChem CID 140782755) has the molecular formula C72H50N2Si and a molecular weight of 971.29 g/mol. Its IUPAC name is triphenyl-[3-[3-[3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazol-9-yl]phenyl]phenyl]silane.

Molecular Properties

• Compound Name: triphenyl-[3-[3-[3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazol-9-yl]phenyl]phenyl]silane
• PubChem CID: 140782755
• Molecular Formula: C72H50N2Si
• Molecular Weight: 971.29 g/mol
• Exact Mass: 970.37
• IUPAC Name: triphenyl-[3-[3-[3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazol-9-yl]phenyl]phenyl]silane
• SMILES: c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6cccc(-c7cccc([Si](c8ccccc8)(c8ccccc8)c8ccccc8)c7)c6)cc5)ccc43)cc2)cc1
• InChI: InChI=1S/C72H50N2Si/c1-5-19-51(20-6-1)52-39-43-59(44-40-52)73-69-33-15-13-31-65(69)67-49-57(41-45-71(67)73)53-35-37-54(38-36-53)58-42-46-72-68(50-58)66-32-14-16-34-70(66)74(72)60-23-17-21-55(47-60)56-22-18-30-64(48-56)75(61-24-7-2-8-25-61,62-26-9-3-10-27-62)63-28-11-4-12-29-63/h1-50H
• InChIKey: ZCSAVWMDGNMZJM-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-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazol-9-yl]phenyl]phenyl]silane?

The IUPAC name of triphenyl-[3-[3-[3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazol-9-yl]phenyl]phenyl]silane (CID 140782755) is triphenyl-[3-[3-[3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazol-9-yl]phenyl]phenyl]silane.

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

The canonical SMILES for triphenyl-[3-[3-[3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazol-9-yl]phenyl]phenyl]silane is c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6cccc(-c7cccc([Si](c8ccccc8)(c8ccccc8)c8ccccc8)c7)c6)cc5)ccc43)cc2)cc1.

What is the InChIKey of triphenyl-[3-[3-[3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazol-9-yl]phenyl]phenyl]silane?

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

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

triphenyl-[3-[3-[3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]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-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazol-9-yl]phenyl]phenyl]silane is sourced from PubChem (CID 140782755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).