1-[4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]-N-[(4-trimethoxysilylphenyl)methyl]methanamine

C33H35NO3Si — CID 59348807

About 1-[4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]-N-[(4-trimethoxysilylphenyl)methyl]methanamine

1-[4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]-N-[(4-trimethoxysilylphenyl)methyl]methanamine (PubChem CID 59348807) has the molecular formula C33H35NO3Si and a molecular weight of 521.73 g/mol. Its IUPAC name is 1-[4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]-N-[(4-trimethoxysilylphenyl)methyl]methanamine.

Molecular Properties

• Compound Name: 1-[4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]-N-[(4-trimethoxysilylphenyl)methyl]methanamine
• PubChem CID: 59348807
• Molecular Formula: C33H35NO3Si
• Molecular Weight: 521.73 g/mol
• Exact Mass: 521.24
• IUPAC Name: 1-[4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]-N-[(4-trimethoxysilylphenyl)methyl]methanamine
• SMILES: CO[Si](OC)(OC)c1ccc(CNCc2ccc(/C=C/c3ccc(/C=C/c4ccccc4)cc3)cc2)cc1
• InChI: InChI=1S/C33H35NO3Si/c1-35-38(36-2,37-3)33-23-21-32(22-24-33)26-34-25-31-19-17-30(18-20-31)16-15-29-13-11-28(12-14-29)10-9-27-7-5-4-6-8-27/h4-24,34H,25-26H2,1-3H3/b10-9+,16-15+
• InChIKey: YUTPOSJCKOYPCT-DSIBUQCCSA-N
• XLogP: 6.40
• TPSA: 39.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	521.73
LogP ≤ 5	6.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]-N-[(4-trimethoxysilylphenyl)methyl]methanamine?

The IUPAC name of 1-[4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]-N-[(4-trimethoxysilylphenyl)methyl]methanamine (CID 59348807) is 1-[4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]-N-[(4-trimethoxysilylphenyl)methyl]methanamine.

What is the SMILES notation for 1-[4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]-N-[(4-trimethoxysilylphenyl)methyl]methanamine?

The canonical SMILES for 1-[4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]-N-[(4-trimethoxysilylphenyl)methyl]methanamine is CO[Si](OC)(OC)c1ccc(CNCc2ccc(/C=C/c3ccc(/C=C/c4ccccc4)cc3)cc2)cc1.

What is the InChIKey of 1-[4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]-N-[(4-trimethoxysilylphenyl)methyl]methanamine?

The InChIKey is YUTPOSJCKOYPCT-DSIBUQCCSA-N. The full InChI is InChI=1S/C33H35NO3Si/c1-35-38(36-2,37-3)33-23-21-32(22-24-33)26-34-25-31-19-17-30(18-20-31)16-15-29-13-11-28(12-14-29)10-9-27-7-5-4-6-8-27/h4-24,34H,25-26H2,1-3H3/b10-9+,16-15+.

What are the key properties of 1-[4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]-N-[(4-trimethoxysilylphenyl)methyl]methanamine?

1-[4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]-N-[(4-trimethoxysilylphenyl)methyl]methanamine has a molecular weight of 521.73 g/mol, XLogP of 6.40, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]-N-[(4-trimethoxysilylphenyl)methyl]methanamine is sourced from PubChem (CID 59348807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).