3-methyl-N-[4-methyl-3-(3-methyltriphenylen-2-yl)phenyl]-N-(4-trimethylsilylphenyl)-1-benzofuran-7-amine

C44H39NOSi — CID 140873337

About 3-methyl-N-[4-methyl-3-(3-methyltriphenylen-2-yl)phenyl]-N-(4-trimethylsilylphenyl)-1-benzofuran-7-amine

3-methyl-N-[4-methyl-3-(3-methyltriphenylen-2-yl)phenyl]-N-(4-trimethylsilylphenyl)-1-benzofuran-7-amine (PubChem CID 140873337) has the molecular formula C44H39NOSi and a molecular weight of 625.89 g/mol. Its IUPAC name is 3-methyl-N-[4-methyl-3-(3-methyltriphenylen-2-yl)phenyl]-N-(4-trimethylsilylphenyl)-1-benzofuran-7-amine.

Molecular Properties

• Compound Name: 3-methyl-N-[4-methyl-3-(3-methyltriphenylen-2-yl)phenyl]-N-(4-trimethylsilylphenyl)-1-benzofuran-7-amine
• PubChem CID: 140873337
• Molecular Formula: C44H39NOSi
• Molecular Weight: 625.89 g/mol
• Exact Mass: 625.28
• IUPAC Name: 3-methyl-N-[4-methyl-3-(3-methyltriphenylen-2-yl)phenyl]-N-(4-trimethylsilylphenyl)-1-benzofuran-7-amine
• SMILES: Cc1ccc(N(c2ccc([Si](C)(C)C)cc2)c2cccc3c(C)coc23)cc1-c1cc2c3ccccc3c3ccccc3c2cc1C
• InChI: InChI=1S/C44H39NOSi/c1-28-18-19-32(45(31-20-22-33(23-21-31)47(4,5)6)43-17-11-16-34-30(3)27-46-44(34)43)25-39(28)40-26-42-38-15-10-8-13-36(38)35-12-7-9-14-37(35)41(42)24-29(40)2/h7-27H,1-6H3
• InChIKey: KRKWOAOGJUZVDK-UHFFFAOYSA-N
• XLogP: 12.50
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	625.89
LogP ≤ 5	12.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-methyl-3-(3-methyltriphenylen-2-yl)phenyl]-N-(4-trimethylsilylphenyl)-1-benzofuran-7-amine?

The IUPAC name of 3-methyl-N-[4-methyl-3-(3-methyltriphenylen-2-yl)phenyl]-N-(4-trimethylsilylphenyl)-1-benzofuran-7-amine (CID 140873337) is 3-methyl-N-[4-methyl-3-(3-methyltriphenylen-2-yl)phenyl]-N-(4-trimethylsilylphenyl)-1-benzofuran-7-amine.

What is the SMILES notation for 3-methyl-N-[4-methyl-3-(3-methyltriphenylen-2-yl)phenyl]-N-(4-trimethylsilylphenyl)-1-benzofuran-7-amine?

The canonical SMILES for 3-methyl-N-[4-methyl-3-(3-methyltriphenylen-2-yl)phenyl]-N-(4-trimethylsilylphenyl)-1-benzofuran-7-amine is Cc1ccc(N(c2ccc([Si](C)(C)C)cc2)c2cccc3c(C)coc23)cc1-c1cc2c3ccccc3c3ccccc3c2cc1C.

What is the InChIKey of 3-methyl-N-[4-methyl-3-(3-methyltriphenylen-2-yl)phenyl]-N-(4-trimethylsilylphenyl)-1-benzofuran-7-amine?

The InChIKey is KRKWOAOGJUZVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H39NOSi/c1-28-18-19-32(45(31-20-22-33(23-21-31)47(4,5)6)43-17-11-16-34-30(3)27-46-44(34)43)25-39(28)40-26-42-38-15-10-8-13-36(38)35-12-7-9-14-37(35)41(42)24-29(40)2/h7-27H,1-6H3.

What are the key properties of 3-methyl-N-[4-methyl-3-(3-methyltriphenylen-2-yl)phenyl]-N-(4-trimethylsilylphenyl)-1-benzofuran-7-amine?

3-methyl-N-[4-methyl-3-(3-methyltriphenylen-2-yl)phenyl]-N-(4-trimethylsilylphenyl)-1-benzofuran-7-amine has a molecular weight of 625.89 g/mol, XLogP of 12.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-[4-methyl-3-(3-methyltriphenylen-2-yl)phenyl]-N-(4-trimethylsilylphenyl)-1-benzofuran-7-amine is sourced from PubChem (CID 140873337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).