3-[4-[[4-[4-(dimethylamino)-3-methylbut-2-en-2-yl]phenyl]-diphenylsilyl]phenyl]-N,N,2-trimethylbut-2-en-1-amine

C38H46N2Si — CID 59971535

About 3-[4-[[4-[4-(dimethylamino)-3-methylbut-2-en-2-yl]phenyl]-diphenylsilyl]phenyl]-N,N,2-trimethylbut-2-en-1-amine

3-[4-[[4-[4-(dimethylamino)-3-methylbut-2-en-2-yl]phenyl]-diphenylsilyl]phenyl]-N,N,2-trimethylbut-2-en-1-amine (PubChem CID 59971535) has the molecular formula C38H46N2Si and a molecular weight of 558.89 g/mol. Its IUPAC name is 3-[4-[[4-[4-(dimethylamino)-3-methylbut-2-en-2-yl]phenyl]-diphenylsilyl]phenyl]-N,N,2-trimethylbut-2-en-1-amine.

Molecular Properties

• Compound Name: 3-[4-[[4-[4-(dimethylamino)-3-methylbut-2-en-2-yl]phenyl]-diphenylsilyl]phenyl]-N,N,2-trimethylbut-2-en-1-amine
• PubChem CID: 59971535
• Molecular Formula: C38H46N2Si
• Molecular Weight: 558.89 g/mol
• Exact Mass: 558.34
• IUPAC Name: 3-[4-[[4-[4-(dimethylamino)-3-methylbut-2-en-2-yl]phenyl]-diphenylsilyl]phenyl]-N,N,2-trimethylbut-2-en-1-amine
• SMILES: CC(CN(C)C)=C(C)c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(C(C)=C(C)CN(C)C)cc2)cc1
• InChI: InChI=1S/C38H46N2Si/c1-29(27-39(5)6)31(3)33-19-23-37(24-20-33)41(35-15-11-9-12-16-35,36-17-13-10-14-18-36)38-25-21-34(22-26-38)32(4)30(2)28-40(7)8/h9-26H,27-28H2,1-8H3
• InChIKey: FLLQJZICSHNOPF-UHFFFAOYSA-N
• XLogP: 5.77
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	558.89
LogP ≤ 5	5.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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-[4-[[4-[4-(dimethylamino)-3-methylbut-2-en-2-yl]phenyl]-diphenylsilyl]phenyl]-N,N,2-trimethylbut-2-en-1-amine?

The IUPAC name of 3-[4-[[4-[4-(dimethylamino)-3-methylbut-2-en-2-yl]phenyl]-diphenylsilyl]phenyl]-N,N,2-trimethylbut-2-en-1-amine (CID 59971535) is 3-[4-[[4-[4-(dimethylamino)-3-methylbut-2-en-2-yl]phenyl]-diphenylsilyl]phenyl]-N,N,2-trimethylbut-2-en-1-amine.

What is the SMILES notation for 3-[4-[[4-[4-(dimethylamino)-3-methylbut-2-en-2-yl]phenyl]-diphenylsilyl]phenyl]-N,N,2-trimethylbut-2-en-1-amine?

The canonical SMILES for 3-[4-[[4-[4-(dimethylamino)-3-methylbut-2-en-2-yl]phenyl]-diphenylsilyl]phenyl]-N,N,2-trimethylbut-2-en-1-amine is CC(CN(C)C)=C(C)c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(C(C)=C(C)CN(C)C)cc2)cc1.

What is the InChIKey of 3-[4-[[4-[4-(dimethylamino)-3-methylbut-2-en-2-yl]phenyl]-diphenylsilyl]phenyl]-N,N,2-trimethylbut-2-en-1-amine?

The InChIKey is FLLQJZICSHNOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H46N2Si/c1-29(27-39(5)6)31(3)33-19-23-37(24-20-33)41(35-15-11-9-12-16-35,36-17-13-10-14-18-36)38-25-21-34(22-26-38)32(4)30(2)28-40(7)8/h9-26H,27-28H2,1-8H3.

What are the key properties of 3-[4-[[4-[4-(dimethylamino)-3-methylbut-2-en-2-yl]phenyl]-diphenylsilyl]phenyl]-N,N,2-trimethylbut-2-en-1-amine?

3-[4-[[4-[4-(dimethylamino)-3-methylbut-2-en-2-yl]phenyl]-diphenylsilyl]phenyl]-N,N,2-trimethylbut-2-en-1-amine has a molecular weight of 558.89 g/mol, XLogP of 5.77, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[[4-[4-(dimethylamino)-3-methylbut-2-en-2-yl]phenyl]-diphenylsilyl]phenyl]-N,N,2-trimethylbut-2-en-1-amine is sourced from PubChem (CID 59971535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).