[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]-(3-isoquinolin-1-ylphenyl)-phenylsilane

C42H39N3Si — CID 158714839

About [3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]-(3-isoquinolin-1-ylphenyl)-phenylsilane

[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]-(3-isoquinolin-1-ylphenyl)-phenylsilane (PubChem CID 158714839) has the molecular formula C42H39N3Si and a molecular weight of 613.88 g/mol. Its IUPAC name is [3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]-(3-isoquinolin-1-ylphenyl)-phenylsilane.

Molecular Properties

• Compound Name: [3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]-(3-isoquinolin-1-ylphenyl)-phenylsilane
• PubChem CID: 158714839
• Molecular Formula: C42H39N3Si
• Molecular Weight: 613.88 g/mol
• Exact Mass: 613.29
• IUPAC Name: [3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]-(3-isoquinolin-1-ylphenyl)-phenylsilane
• SMILES: CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1cccc([SiH](c2ccccc2)c2cccc(-c3nccc4ccccc34)c2)c1
• InChI: InChI=1S/C42H39N3Si/c1-29(2)37-21-12-22-38(30(3)4)41(37)45-26-25-44-42(45)33-15-11-19-36(28-33)46(34-16-6-5-7-17-34)35-18-10-14-32(27-35)40-39-20-9-8-13-31(39)23-24-43-40/h5-30,46H,1-4H3
• InChIKey: FEKBGHPAMDGHGS-UHFFFAOYSA-N
• XLogP: 8.25
• TPSA: 30.71 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	613.88
LogP ≤ 5	8.25
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 [3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]-(3-isoquinolin-1-ylphenyl)-phenylsilane?

The IUPAC name of [3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]-(3-isoquinolin-1-ylphenyl)-phenylsilane (CID 158714839) is [3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]-(3-isoquinolin-1-ylphenyl)-phenylsilane.

What is the SMILES notation for [3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]-(3-isoquinolin-1-ylphenyl)-phenylsilane?

The canonical SMILES for [3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]-(3-isoquinolin-1-ylphenyl)-phenylsilane is CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1cccc([SiH](c2ccccc2)c2cccc(-c3nccc4ccccc34)c2)c1.

What is the InChIKey of [3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]-(3-isoquinolin-1-ylphenyl)-phenylsilane?

The InChIKey is FEKBGHPAMDGHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H39N3Si/c1-29(2)37-21-12-22-38(30(3)4)41(37)45-26-25-44-42(45)33-15-11-19-36(28-33)46(34-16-6-5-7-17-34)35-18-10-14-32(27-35)40-39-20-9-8-13-31(39)23-24-43-40/h5-30,46H,1-4H3.

What are the key properties of [3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]-(3-isoquinolin-1-ylphenyl)-phenylsilane?

[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]-(3-isoquinolin-1-ylphenyl)-phenylsilane has a molecular weight of 613.88 g/mol, XLogP of 8.25, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]-(3-isoquinolin-1-ylphenyl)-phenylsilane is sourced from PubChem (CID 158714839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).