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

C55H42N4Si — CID 71286981

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

[4-[2-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]-trimethylsilane (PubChem CID 71286981) has the molecular formula C55H42N4Si and a molecular weight of 787.06 g/mol. Its IUPAC name is [4-[2-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]-trimethylsilane.

Molecular Properties

• Compound Name: [4-[2-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]-trimethylsilane
• PubChem CID: 71286981
• Molecular Formula: C55H42N4Si
• Molecular Weight: 787.06 g/mol
• Exact Mass: 786.32
• IUPAC Name: [4-[2-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]-trimethylsilane
• SMILES: C[Si](C)(C)c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c6ccccc6n(-c6ccc(-c7cc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)c5c4)cc32)cc1
• InChI: InChI=1S/C55H42N4Si/c1-60(2,3)44-30-28-43(29-31-44)59-52-21-13-11-19-46(52)48-33-25-41(35-54(48)59)40-24-32-47-45-18-10-12-20-51(45)58(53(47)34-40)42-26-22-38(23-27-42)50-36-49(37-14-6-4-7-15-37)56-55(57-50)39-16-8-5-9-17-39/h4-36H,1-3H3
• InChIKey: SHBKNXSUNMYIML-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-[2-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]-trimethylsilane?

The IUPAC name of [4-[2-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]-trimethylsilane (CID 71286981) is [4-[2-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]-trimethylsilane.

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

The canonical SMILES for [4-[2-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]-trimethylsilane is C[Si](C)(C)c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c6ccccc6n(-c6ccc(-c7cc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)c5c4)cc32)cc1.

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

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

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

[4-[2-[9-[4-(2,6-diphenylpyrimidin-4-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-[2-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]-trimethylsilane is sourced from PubChem (CID 71286981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).