4-[(E)-2-[4-[[[dimethyl-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]ethenyl]-N,N-diphenylaniline

C58H58N2O2Si3 — CID 58825856

IUPAC4-[(E)-2-[4-[[[dimethyl-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]ethenyl]-N,N-diphenylaniline
SMILESC[Si](C)(O[Si](C)(C)c1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1)O[Si](C)(C)c1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C58H58N2O2Si3/c1-63(2,57-43-35-49(36-44-57)29-27-47-31-39-55(40-32-47)59(51-19-11-7-12-20-51)52-21-13-8-14-22-52)61-65(5,6)62-64(3,4)58-45-37-50(38-46-58)30-28-48-33-41-56(42-34-48)60(53-23-15-9-16-24-53)54-25-17-10-18-26-54/h7-46H,1-6H3/b29-27+,30-28+
InChIKeyFJHYYKAPZGHKPM-QAVVBOBSSA-N
MW899.37 g/mol
LogP15.23
Rot. Bonds16

About 4-[(E)-2-[4-[[[dimethyl-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]ethenyl]-N,N-diphenylaniline

4-[(E)-2-[4-[[[dimethyl-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]ethenyl]-N,N-diphenylaniline (PubChem CID 58825856) has the molecular formula C58H58N2O2Si3 and a molecular weight of 899.37 g/mol. Its IUPAC name is 4-[(E)-2-[4-[[[dimethyl-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]ethenyl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[(E)-2-[4-[[[dimethyl-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]ethenyl]-N,N-diphenylaniline
PubChem CID58825856
Molecular FormulaC58H58N2O2Si3
Molecular Weight899.37 g/mol
Exact Mass898.38
IUPAC Name4-[(E)-2-[4-[[[dimethyl-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]ethenyl]-N,N-diphenylaniline
SMILESC[Si](C)(O[Si](C)(C)c1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1)O[Si](C)(C)c1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C58H58N2O2Si3/c1-63(2,57-43-35-49(36-44-57)29-27-47-31-39-55(40-32-47)59(51-19-11-7-12-20-51)52-21-13-8-14-22-52)61-65(5,6)62-64(3,4)58-45-37-50(38-46-58)30-28-48-33-41-56(42-34-48)60(53-23-15-9-16-24-53)54-25-17-10-18-26-54/h7-46H,1-6H3/b29-27+,30-28+
InChIKeyFJHYYKAPZGHKPM-QAVVBOBSSA-N
XLogP15.23
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500899.37
LogP ≤ 515.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(E)-2-[4-[[[dimethyl-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]ethenyl]-N,N-diphenylaniline 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

N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 177478696
1-N,1-N,4-N-triphenyl-4-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]benzene-1,4-diamine
CID 66641192
N,N-diphenyl-4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]aniline
CID 139195314
4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline
CID 14366502
4-[(1E,3E)-4-phenylbuta-1,3-dienyl]-N-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]-N-[4-[(E)-2-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]ethenyl]phenyl]aniline;4-[(E)-2-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]ethenyl]-N,N-bis[4-[(E)-2-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]ethenyl]phenyl]aniline
CID 159424729
4-[(E)-2-[4,6-bis[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-1,3,5-triazin-2-yl]ethenyl]-N,N-diphenylaniline
CID 102184385
N-phenyl-4-[(E)-2-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]-N-[4-[(E)-2-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]phenyl]aniline
CID 101360915
N-phenyl-N-[4-(4-phenylphenyl)phenyl]-4-[(E)-2-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]ethenyl]aniline
CID 59533083
1-N-phenyl-4-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-1-N-[4-(2-phenylethenyl)phenyl]-4-N-[4-(N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]benzene-1,4-diamine
CID 59048165
N-phenyl-N-(4-phenylphenyl)-4-[(E)-2-[4-(N-(4-phenylphenyl)anilino)phenyl]ethenyl]aniline
CID 58715854
1-N-phenyl-4-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-1-N-[4-[(E)-2-phenylethenyl]phenyl]-4-N-[4-(N-[4-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]benzene-1,4-diamine
CID 22983495
4-ethyl-N-[4-[(E)-2-[4-(N-(4-ethylphenyl)anilino)phenyl]ethenyl]phenyl]-N-phenylaniline
CID 59722336

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[4-[[[dimethyl-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]ethenyl]-N,N-diphenylaniline?
The IUPAC name of 4-[(E)-2-[4-[[[dimethyl-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]ethenyl]-N,N-diphenylaniline (CID 58825856) is 4-[(E)-2-[4-[[[dimethyl-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]ethenyl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[(E)-2-[4-[[[dimethyl-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]ethenyl]-N,N-diphenylaniline?
The canonical SMILES for 4-[(E)-2-[4-[[[dimethyl-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]ethenyl]-N,N-diphenylaniline is C[Si](C)(O[Si](C)(C)c1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1)O[Si](C)(C)c1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of 4-[(E)-2-[4-[[[dimethyl-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]ethenyl]-N,N-diphenylaniline?
The InChIKey is FJHYYKAPZGHKPM-QAVVBOBSSA-N. The full InChI is InChI=1S/C58H58N2O2Si3/c1-63(2,57-43-35-49(36-44-57)29-27-47-31-39-55(40-32-47)59(51-19-11-7-12-20-51)52-21-13-8-14-22-52)61-65(5,6)62-64(3,4)58-45-37-50(38-46-58)30-28-48-33-41-56(42-34-48)60(53-23-15-9-16-24-53)54-25-17-10-18-26-54/h7-46H,1-6H3/b29-27+,30-28+.
What are the key properties of 4-[(E)-2-[4-[[[dimethyl-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]ethenyl]-N,N-diphenylaniline?
4-[(E)-2-[4-[[[dimethyl-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]ethenyl]-N,N-diphenylaniline has a molecular weight of 899.37 g/mol, XLogP of 15.23, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[4-[[[dimethyl-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]ethenyl]-N,N-diphenylaniline is sourced from PubChem (CID 58825856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).