triphenyl-[3-[4-[1-(9-phenylcarbazol-3-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane

C66H45N3Si — CID 166589058

About triphenyl-[3-[4-[1-(9-phenylcarbazol-3-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane

triphenyl-[3-[4-[1-(9-phenylcarbazol-3-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane (PubChem CID 166589058) has the molecular formula C66H45N3Si and a molecular weight of 908.19 g/mol. Its IUPAC name is triphenyl-[3-[4-[1-(9-phenylcarbazol-3-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane.

Molecular Properties

• Compound Name: triphenyl-[3-[4-[1-(9-phenylcarbazol-3-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
• PubChem CID: 166589058
• Molecular Formula: C66H45N3Si
• Molecular Weight: 908.19 g/mol
• Exact Mass: 907.34
• IUPAC Name: triphenyl-[3-[4-[1-(9-phenylcarbazol-3-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
• SMILES: c1ccc(-n2c3ccccc3c3cc(-c4cccc5c6ccccc6n(-c6cccc7c6c6ccccc6n7-c6cccc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)c6)c45)ccc32)cc1
• InChI: InChI=1S/C66H45N3Si/c1-5-22-47(23-6-1)67-59-37-16-14-33-55(59)58-44-46(42-43-62(58)67)53-35-20-36-56-54-32-13-17-38-60(54)69(66(53)56)64-41-21-40-63-65(64)57-34-15-18-39-61(57)68(63)48-24-19-31-52(45-48)70(49-25-7-2-8-26-49,50-27-9-3-10-28-50)51-29-11-4-12-30-51/h1-45H
• InChIKey: BRVNPVSLIYRLCV-UHFFFAOYSA-N
• XLogP: 14.02
• TPSA: 14.79 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	908.19
LogP ≤ 5	14.02
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 triphenyl-[3-[4-[1-(9-phenylcarbazol-3-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane?

The IUPAC name of triphenyl-[3-[4-[1-(9-phenylcarbazol-3-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane (CID 166589058) is triphenyl-[3-[4-[1-(9-phenylcarbazol-3-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane.

What is the SMILES notation for triphenyl-[3-[4-[1-(9-phenylcarbazol-3-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane?

The canonical SMILES for triphenyl-[3-[4-[1-(9-phenylcarbazol-3-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane is c1ccc(-n2c3ccccc3c3cc(-c4cccc5c6ccccc6n(-c6cccc7c6c6ccccc6n7-c6cccc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)c6)c45)ccc32)cc1.

What is the InChIKey of triphenyl-[3-[4-[1-(9-phenylcarbazol-3-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane?

The InChIKey is BRVNPVSLIYRLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H45N3Si/c1-5-22-47(23-6-1)67-59-37-16-14-33-55(59)58-44-46(42-43-62(58)67)53-35-20-36-56-54-32-13-17-38-60(54)69(66(53)56)64-41-21-40-63-65(64)57-34-15-18-39-61(57)68(63)48-24-19-31-52(45-48)70(49-25-7-2-8-26-49,50-27-9-3-10-28-50)51-29-11-4-12-30-51/h1-45H.

What are the key properties of triphenyl-[3-[4-[1-(9-phenylcarbazol-3-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane?

triphenyl-[3-[4-[1-(9-phenylcarbazol-3-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane has a molecular weight of 908.19 g/mol, XLogP of 14.02, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for triphenyl-[3-[4-[1-(9-phenylcarbazol-3-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane is sourced from PubChem (CID 166589058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).