[4-[3-[9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]-trimethylsilane

C56H43N3Si — CID 71286923

About [4-[3-[9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]-trimethylsilane

[4-[3-[9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]-trimethylsilane (PubChem CID 71286923) has the molecular formula C56H43N3Si and a molecular weight of 786.07 g/mol. Its IUPAC name is [4-[3-[9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]-trimethylsilane.

Molecular Properties

• Compound Name: [4-[3-[9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]-trimethylsilane
• PubChem CID: 71286923
• Molecular Formula: C56H43N3Si
• Molecular Weight: 786.07 g/mol
• Exact Mass: 785.32
• IUPAC Name: [4-[3-[9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]-trimethylsilane
• SMILES: C[Si](C)(C)c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)n5)cc4)ccc32)cc1
• InChI: InChI=1S/C56H43N3Si/c1-60(2,3)46-30-28-45(29-31-46)59-54-21-13-11-19-48(54)50-35-42(25-33-56(50)59)41-24-32-55-49(34-41)47-18-10-12-20-53(47)58(55)44-26-22-40(23-27-44)52-37-43(38-14-6-4-7-15-38)36-51(57-52)39-16-8-5-9-17-39/h4-37H,1-3H3
• InChIKey: RZNOXKVQAWNZQW-UHFFFAOYSA-N
• XLogP: 14.49
• TPSA: 22.75 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	786.07
LogP ≤ 5	14.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-[3-[9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]-trimethylsilane?

The IUPAC name of [4-[3-[9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]-trimethylsilane (CID 71286923) is [4-[3-[9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]-trimethylsilane.

What is the SMILES notation for [4-[3-[9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]-trimethylsilane?

The canonical SMILES for [4-[3-[9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]-trimethylsilane is C[Si](C)(C)c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)n5)cc4)ccc32)cc1.

What is the InChIKey of [4-[3-[9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]-trimethylsilane?

The InChIKey is RZNOXKVQAWNZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H43N3Si/c1-60(2,3)46-30-28-45(29-31-46)59-54-21-13-11-19-48(54)50-35-42(25-33-56(50)59)41-24-32-55-49(34-41)47-18-10-12-20-53(47)58(55)44-26-22-40(23-27-44)52-37-43(38-14-6-4-7-15-38)36-51(57-52)39-16-8-5-9-17-39/h4-37H,1-3H3.

What are the key properties of [4-[3-[9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]-trimethylsilane?

[4-[3-[9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]-trimethylsilane has a molecular weight of 786.07 g/mol, XLogP of 14.49, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[3-[9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]-trimethylsilane is sourced from PubChem (CID 71286923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).