5-[2-[4-[2-[tert-butyl(diphenyl)silyl]oxyethyl-methylamino]-2-phenylmethoxyphenyl]ethenyl]thiophene-2-carbaldehyde;5-[(E)-2-[4-[2-[tert-butyl(diphenyl)silyl]oxyethyl-methylamino]-2-phenylmethoxyphenyl]ethenyl]thiophene-2-carbaldehyde;molecular iodine

C78H82I2N2O6S2Si2 — CID 162250752

IUPAC5-[2-[4-[2-[tert-butyl(diphenyl)silyl]oxyethyl-methylamino]-2-phenylmethoxyphenyl]ethenyl]thiophene-2-carbaldehyde;5-[(E)-2-[4-[2-[tert-butyl(diphenyl)silyl]oxyethyl-methylamino]-2-phenylmethoxyphenyl]ethenyl]thiophene-2-carbaldehyde;molecular iodine
SMILESCN(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1ccc(/C=C/c2ccc(C=O)s2)c(OCc2ccccc2)c1.CN(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1ccc(C=Cc2ccc(C=O)s2)c(OCc2ccccc2)c1.II
InChIInChI=1S/2C39H41NO3SSi.I2/c2*1-39(2,3)45(36-16-10-6-11-17-36,37-18-12-7-13-19-37)43-27-26-40(4)33-22-20-32(21-23-34-24-25-35(29-41)44-34)38(28-33)42-30-31-14-8-5-9-15-31;1-2/h2*5-25,28-29H,26-27,30H2,1-4H3;/b23-21+;;
InChIKeyZXYMVTNWQWAPGB-GUSGXMBRSA-N
MW1517.64 g/mol
LogP18.42
Rot. Bonds26

About 5-[2-[4-[2-[tert-butyl(diphenyl)silyl]oxyethyl-methylamino]-2-phenylmethoxyphenyl]ethenyl]thiophene-2-carbaldehyde;5-[(E)-2-[4-[2-[tert-butyl(diphenyl)silyl]oxyethyl-methylamino]-2-phenylmethoxyphenyl]ethenyl]thiophene-2-carbaldehyde;molecular iodine

5-[2-[4-[2-[tert-butyl(diphenyl)silyl]oxyethyl-methylamino]-2-phenylmethoxyphenyl]ethenyl]thiophene-2-carbaldehyde;5-[(E)-2-[4-[2-[tert-butyl(diphenyl)silyl]oxyethyl-methylamino]-2-phenylmethoxyphenyl]ethenyl]thiophene-2-carbaldehyde;molecular iodine (PubChem CID 162250752) has the molecular formula C78H82I2N2O6S2Si2 and a molecular weight of 1517.64 g/mol. Its IUPAC name is 5-[2-[4-[2-[tert-butyl(diphenyl)silyl]oxyethyl-methylamino]-2-phenylmethoxyphenyl]ethenyl]thiophene-2-carbaldehyde;5-[(E)-2-[4-[2-[tert-butyl(diphenyl)silyl]oxyethyl-methylamino]-2-phenylmethoxyphenyl]ethenyl]thiophene-2-carbaldehyde;molecular iodine.

Molecular Properties

Compound Name5-[2-[4-[2-[tert-butyl(diphenyl)silyl]oxyethyl-methylamino]-2-phenylmethoxyphenyl]ethenyl]thiophene-2-carbaldehyde;5-[(E)-2-[4-[2-[tert-butyl(diphenyl)silyl]oxyethyl-methylamino]-2-phenylmethoxyphenyl]ethenyl]thiophene-2-carbaldehyde;molecular iodine
PubChem CID162250752
Molecular FormulaC78H82I2N2O6S2Si2
Molecular Weight1517.64 g/mol
Exact Mass1516.32
IUPAC Name5-[2-[4-[2-[tert-butyl(diphenyl)silyl]oxyethyl-methylamino]-2-phenylmethoxyphenyl]ethenyl]thiophene-2-carbaldehyde;5-[(E)-2-[4-[2-[tert-butyl(diphenyl)silyl]oxyethyl-methylamino]-2-phenylmethoxyphenyl]ethenyl]thiophene-2-carbaldehyde;molecular iodine
SMILESCN(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1ccc(/C=C/c2ccc(C=O)s2)c(OCc2ccccc2)c1.CN(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1ccc(C=Cc2ccc(C=O)s2)c(OCc2ccccc2)c1.II
InChIInChI=1S/2C39H41NO3SSi.I2/c2*1-39(2,3)45(36-16-10-6-11-17-36,37-18-12-7-13-19-37)43-27-26-40(4)33-22-20-32(21-23-34-24-25-35(29-41)44-34)38(28-33)42-30-31-14-8-5-9-15-31;1-2/h2*5-25,28-29H,26-27,30H2,1-4H3;/b23-21+;;
InChIKeyZXYMVTNWQWAPGB-GUSGXMBRSA-N
XLogP18.42
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds26
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001517.64
LogP ≤ 518.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 5-[2-[4-[2-[tert-butyl(diphenyl)silyl]oxyethyl-methylamino]-2-phenylmethoxyphenyl]ethenyl]thiophene-2-carbaldehyde;5-[(E)-2-[4-[2-[tert-butyl(diphenyl)silyl]oxyethyl-methylamino]-2-phenylmethoxyphenyl]ethenyl]thiophene-2-carbaldehyde;molecular iodine with MolForge

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Related Compounds

5-[2-[4-[2-[tert-butyl(diphenyl)silyl]oxyethyl-methylamino]-2-phenylmethoxyphenyl]ethenyl]thiophene-2-carbaldehyde;N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-methyl-3-phenylmethoxy-4-(2-thiophen-2-ylethenyl)aniline;methane
CID 159853084
5-[2-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]-2-phenylmethoxyphenyl]ethenyl]thiophene-2-carbaldehyde
CID 123610665
5-[(E)-2-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]-2-phenylmethoxyphenyl]ethenyl]thiophene-2-carbaldehyde;5-[(E)-2-[4-[2-hydroxyethyl(methyl)amino]-2-phenylmethoxyphenyl]ethenyl]thiophene-2-carbaldehyde
CID 161133111
5-[(E)-2-[4-[bis[2-[tert-butyl(diphenyl)silyl]oxyethyl]amino]-2-phenylmethoxyphenyl]ethenyl]thiophene-2-carbaldehyde;5-[(E)-2-[4-[bis(2-hydroxyethyl)amino]-2-phenylmethoxyphenyl]ethenyl]thiophene-2-carbaldehyde;tetrabutylazanium;fluoride
CID 162203969
5-[2-[2-[tert-butyl(diphenyl)silyl]oxy-4-(dibutylamino)phenyl]ethenyl]thiophene-2-carbaldehyde
CID 86667556
N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-methyl-3-phenylmethoxyaniline
CID 153411901
5-[(E)-2-[4-[butyl(pentyl)amino]-2-phenylmethoxyphenyl]ethenyl]thiophene-2-carbaldehyde;N-butyl-N-pentyl-3-phenylmethoxy-4-(2-thiophen-2-ylethenyl)aniline;methane
CID 159259292
3-[4-[tert-butyl(diphenyl)silyl]oxybutoxy]-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propyl-4-(2-thiophen-2-ylethenyl)aniline
CID 158892831
N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CID 171455039
2-[4-[(E)-2-[5-[(E)-2-[4-[bis(4-hydroxybutyl)amino]-2-phenylmethoxyphenyl]ethenyl]thiophen-2-yl]ethenyl]-3-cyano-5,5-dimethylfuran-2-ylidene]propanedinitrile
CID 138594042
[5-(dibutylamino)-2-[2-(5-formylthiophen-2-yl)ethenyl]phenyl] 2-methylprop-2-enoate
CID 123828799
tert-butyl-(2-iodoethoxy)-diphenylsilane
CID 11269862

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-[2-[tert-butyl(diphenyl)silyl]oxyethyl-methylamino]-2-phenylmethoxyphenyl]ethenyl]thiophene-2-carbaldehyde;5-[(E)-2-[4-[2-[tert-butyl(diphenyl)silyl]oxyethyl-methylamino]-2-phenylmethoxyphenyl]ethenyl]thiophene-2-carbaldehyde;molecular iodine?
The IUPAC name of 5-[2-[4-[2-[tert-butyl(diphenyl)silyl]oxyethyl-methylamino]-2-phenylmethoxyphenyl]ethenyl]thiophene-2-carbaldehyde;5-[(E)-2-[4-[2-[tert-butyl(diphenyl)silyl]oxyethyl-methylamino]-2-phenylmethoxyphenyl]ethenyl]thiophene-2-carbaldehyde;molecular iodine (CID 162250752) is 5-[2-[4-[2-[tert-butyl(diphenyl)silyl]oxyethyl-methylamino]-2-phenylmethoxyphenyl]ethenyl]thiophene-2-carbaldehyde;5-[(E)-2-[4-[2-[tert-butyl(diphenyl)silyl]oxyethyl-methylamino]-2-phenylmethoxyphenyl]ethenyl]thiophene-2-carbaldehyde;molecular iodine.
What is the SMILES notation for 5-[2-[4-[2-[tert-butyl(diphenyl)silyl]oxyethyl-methylamino]-2-phenylmethoxyphenyl]ethenyl]thiophene-2-carbaldehyde;5-[(E)-2-[4-[2-[tert-butyl(diphenyl)silyl]oxyethyl-methylamino]-2-phenylmethoxyphenyl]ethenyl]thiophene-2-carbaldehyde;molecular iodine?
The canonical SMILES for 5-[2-[4-[2-[tert-butyl(diphenyl)silyl]oxyethyl-methylamino]-2-phenylmethoxyphenyl]ethenyl]thiophene-2-carbaldehyde;5-[(E)-2-[4-[2-[tert-butyl(diphenyl)silyl]oxyethyl-methylamino]-2-phenylmethoxyphenyl]ethenyl]thiophene-2-carbaldehyde;molecular iodine is CN(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1ccc(/C=C/c2ccc(C=O)s2)c(OCc2ccccc2)c1.CN(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1ccc(C=Cc2ccc(C=O)s2)c(OCc2ccccc2)c1.II.
What is the InChIKey of 5-[2-[4-[2-[tert-butyl(diphenyl)silyl]oxyethyl-methylamino]-2-phenylmethoxyphenyl]ethenyl]thiophene-2-carbaldehyde;5-[(E)-2-[4-[2-[tert-butyl(diphenyl)silyl]oxyethyl-methylamino]-2-phenylmethoxyphenyl]ethenyl]thiophene-2-carbaldehyde;molecular iodine?
The InChIKey is ZXYMVTNWQWAPGB-GUSGXMBRSA-N. The full InChI is InChI=1S/2C39H41NO3SSi.I2/c2*1-39(2,3)45(36-16-10-6-11-17-36,37-18-12-7-13-19-37)43-27-26-40(4)33-22-20-32(21-23-34-24-25-35(29-41)44-34)38(28-33)42-30-31-14-8-5-9-15-31;1-2/h2*5-25,28-29H,26-27,30H2,1-4H3;/b23-21+;;.
What are the key properties of 5-[2-[4-[2-[tert-butyl(diphenyl)silyl]oxyethyl-methylamino]-2-phenylmethoxyphenyl]ethenyl]thiophene-2-carbaldehyde;5-[(E)-2-[4-[2-[tert-butyl(diphenyl)silyl]oxyethyl-methylamino]-2-phenylmethoxyphenyl]ethenyl]thiophene-2-carbaldehyde;molecular iodine?
5-[2-[4-[2-[tert-butyl(diphenyl)silyl]oxyethyl-methylamino]-2-phenylmethoxyphenyl]ethenyl]thiophene-2-carbaldehyde;5-[(E)-2-[4-[2-[tert-butyl(diphenyl)silyl]oxyethyl-methylamino]-2-phenylmethoxyphenyl]ethenyl]thiophene-2-carbaldehyde;molecular iodine has a molecular weight of 1517.64 g/mol, XLogP of 18.42, 26 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-[2-[tert-butyl(diphenyl)silyl]oxyethyl-methylamino]-2-phenylmethoxyphenyl]ethenyl]thiophene-2-carbaldehyde;5-[(E)-2-[4-[2-[tert-butyl(diphenyl)silyl]oxyethyl-methylamino]-2-phenylmethoxyphenyl]ethenyl]thiophene-2-carbaldehyde;molecular iodine is sourced from PubChem (CID 162250752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).