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

C55H42N4Si — CID 71287060

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

[4-[3-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]-trimethylsilane (PubChem CID 71287060) has the molecular formula C55H42N4Si and a molecular weight of 787.06 g/mol. Its IUPAC name is [4-[3-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]-trimethylsilane.

Molecular Properties

• Compound Name: [4-[3-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]-trimethylsilane
• PubChem CID: 71287060
• Molecular Formula: C55H42N4Si
• Molecular Weight: 787.06 g/mol
• Exact Mass: 786.32
• IUPAC Name: [4-[3-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]-trimethylsilane
• SMILES: C[Si](C)(C)c1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6cccc(-c7nc(-c8ccccc8)cc(-c8ccccc8)n7)c6)c5c4)ccc32)cc1
• InChI: InChI=1S/C55H42N4Si/c1-60(2,3)44-29-27-42(28-30-44)58-52-24-13-11-22-46(52)48-34-39(26-32-53(48)58)40-25-31-47-45-21-10-12-23-51(45)59(54(47)35-40)43-20-14-19-41(33-43)55-56-49(37-15-6-4-7-16-37)36-50(57-55)38-17-8-5-9-18-38/h4-36H,1-3H3
• InChIKey: KQOYMWWPLXFKSN-UHFFFAOYSA-N
• XLogP: 13.88
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	787.06
LogP ≤ 5	13.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of [4-[3-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]-trimethylsilane (CID 71287060) is [4-[3-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]-trimethylsilane.

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

The canonical SMILES for [4-[3-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]-trimethylsilane is C[Si](C)(C)c1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6cccc(-c7nc(-c8ccccc8)cc(-c8ccccc8)n7)c6)c5c4)ccc32)cc1.

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

The InChIKey is KQOYMWWPLXFKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H42N4Si/c1-60(2,3)44-29-27-42(28-30-44)58-52-24-13-11-22-46(52)48-34-39(26-32-53(48)58)40-25-31-47-45-21-10-12-23-51(45)59(54(47)35-40)43-20-14-19-41(33-43)55-56-49(37-15-6-4-7-16-37)36-50(57-55)38-17-8-5-9-18-38/h4-36H,1-3H3.

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

[4-[3-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]-trimethylsilane has a molecular weight of 787.06 g/mol, XLogP of 13.88, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[3-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]-trimethylsilane is sourced from PubChem (CID 71287060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).