4-[(E)-2-[4-[(E)-2-[3,5-dimethyl-4-[(4-trimethoxysilylphenyl)methoxy]phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline

C36H41NO4Si — CID 59348829

IUPAC4-[(E)-2-[4-[(E)-2-[3,5-dimethyl-4-[(4-trimethoxysilylphenyl)methoxy]phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline
SMILESCO[Si](OC)(OC)c1ccc(COc2c(C)cc(/C=C/c3ccc(/C=C/c4ccc(N(C)C)cc4)cc3)cc2C)cc1
InChIInChI=1S/C36H41NO4Si/c1-27-24-33(15-14-30-10-8-29(9-11-30)12-13-31-16-20-34(21-17-31)37(3)4)25-28(2)36(27)41-26-32-18-22-35(23-19-32)42(38-5,39-6)40-7/h8-25H,26H2,1-7H3/b13-12+,15-14+
InChIKeyVPFKCNUXTCLWEC-SQIWNDBBSA-N
MW579.81 g/mol
LogP7.37
Rot. Bonds12

About 4-[(E)-2-[4-[(E)-2-[3,5-dimethyl-4-[(4-trimethoxysilylphenyl)methoxy]phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline

4-[(E)-2-[4-[(E)-2-[3,5-dimethyl-4-[(4-trimethoxysilylphenyl)methoxy]phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline (PubChem CID 59348829) has the molecular formula C36H41NO4Si and a molecular weight of 579.81 g/mol. Its IUPAC name is 4-[(E)-2-[4-[(E)-2-[3,5-dimethyl-4-[(4-trimethoxysilylphenyl)methoxy]phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(E)-2-[4-[(E)-2-[3,5-dimethyl-4-[(4-trimethoxysilylphenyl)methoxy]phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline
PubChem CID59348829
Molecular FormulaC36H41NO4Si
Molecular Weight579.81 g/mol
Exact Mass579.28
IUPAC Name4-[(E)-2-[4-[(E)-2-[3,5-dimethyl-4-[(4-trimethoxysilylphenyl)methoxy]phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline
SMILESCO[Si](OC)(OC)c1ccc(COc2c(C)cc(/C=C/c3ccc(/C=C/c4ccc(N(C)C)cc4)cc3)cc2C)cc1
InChIInChI=1S/C36H41NO4Si/c1-27-24-33(15-14-30-10-8-29(9-11-30)12-13-31-16-20-34(21-17-31)37(3)4)25-28(2)36(27)41-26-32-18-22-35(23-19-32)42(38-5,39-6)40-7/h8-25H,26H2,1-7H3/b13-12+,15-14+
InChIKeyVPFKCNUXTCLWEC-SQIWNDBBSA-N
XLogP7.37
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.81
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 4-[(E)-2-[4-[(E)-2-[3,5-dimethyl-4-[(4-trimethoxysilylphenyl)methoxy]phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(chloromethyl)phenyl]-trimethoxysilane;4-[(E)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-2,6-difluorophenol;4-[(E)-2-[4-[(E)-2-[3,5-dimethyl-4-[(4-trimethoxysilylphenyl)methoxy]phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline;trichloro-[4-(chloromethyl)phenyl]silane
CID 158770960
N,N-dimethyl-4-trimethoxysilylaniline
CID 54120429
4-[(Z)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 92530704
N,N-dimethyl-4-[2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
CID 54188943
4-[(4-methoxyphenyl)methoxy]-3,5-dimethylbenzaldehyde
CID 28880560
N,N-dimethyl-4-[(E)-2-[1-[[4-tris(trimethylsilyloxy)silylphenyl]methyl]pyridin-1-ium-4-yl]ethenyl]aniline
CID 177464933
4-[2-(3,5-dimethoxyphenyl)ethenyl]-N,N-dimethylaniline
CID 85073346
1-[4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]-N-[(4-trimethoxysilylphenyl)methyl]methanamine
CID 59348807
4-[2-(6-iodo-3-pyridinyl)ethenyl]-N,N-dimethylaniline
CID 72771992
(E)-3-(3,5-dimethyl-4-phenylmethoxyphenyl)prop-2-en-1-amine
CID 117422190
4-[(E)-2-[6-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyrimidin-4-yl]ethenyl]-N,N-dimethylaniline
CID 42643531
4-[2-(4-ethoxyphenyl)ethenyl]-N,N-dimethylaniline
CID 67837040

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[4-[(E)-2-[3,5-dimethyl-4-[(4-trimethoxysilylphenyl)methoxy]phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(E)-2-[4-[(E)-2-[3,5-dimethyl-4-[(4-trimethoxysilylphenyl)methoxy]phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline (CID 59348829) is 4-[(E)-2-[4-[(E)-2-[3,5-dimethyl-4-[(4-trimethoxysilylphenyl)methoxy]phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(E)-2-[4-[(E)-2-[3,5-dimethyl-4-[(4-trimethoxysilylphenyl)methoxy]phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(E)-2-[4-[(E)-2-[3,5-dimethyl-4-[(4-trimethoxysilylphenyl)methoxy]phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline is CO[Si](OC)(OC)c1ccc(COc2c(C)cc(/C=C/c3ccc(/C=C/c4ccc(N(C)C)cc4)cc3)cc2C)cc1.
What is the InChIKey of 4-[(E)-2-[4-[(E)-2-[3,5-dimethyl-4-[(4-trimethoxysilylphenyl)methoxy]phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline?
The InChIKey is VPFKCNUXTCLWEC-SQIWNDBBSA-N. The full InChI is InChI=1S/C36H41NO4Si/c1-27-24-33(15-14-30-10-8-29(9-11-30)12-13-31-16-20-34(21-17-31)37(3)4)25-28(2)36(27)41-26-32-18-22-35(23-19-32)42(38-5,39-6)40-7/h8-25H,26H2,1-7H3/b13-12+,15-14+.
What are the key properties of 4-[(E)-2-[4-[(E)-2-[3,5-dimethyl-4-[(4-trimethoxysilylphenyl)methoxy]phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline?
4-[(E)-2-[4-[(E)-2-[3,5-dimethyl-4-[(4-trimethoxysilylphenyl)methoxy]phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline has a molecular weight of 579.81 g/mol, XLogP of 7.37, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[4-[(E)-2-[3,5-dimethyl-4-[(4-trimethoxysilylphenyl)methoxy]phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline is sourced from PubChem (CID 59348829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).