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

C96H122FN3O8S2Si2 — CID 162203969

IUPAC5-[(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
SMILESCC(C)(C)[Si](OCCN(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1ccc(/C=C/c2ccc(C=O)s2)c(OCc2ccccc2)c1)(c1ccccc1)c1ccccc1.CCCC[N+](CCCC)(CCCC)CCCC.O=Cc1ccc(/C=C/c2ccc(N(CCO)CCO)cc2OCc2ccccc2)s1.[F-]
InChIInChI=1S/C56H61NO4SSi2.C24H25NO4S.C16H36N.FH/c1-55(2,3)63(50-24-14-8-15-25-50,51-26-16-9-17-27-51)60-40-38-57(39-41-61-64(56(4,5)6,52-28-18-10-19-29-52)53-30-20-11-21-31-53)47-34-32-46(33-35-48-36-37-49(43-58)62-48)54(42-47)59-44-45-22-12-7-13-23-45;26-14-12-25(13-15-27)21-8-6-20(7-9-22-10-11-23(17-28)30-22)24(16-21)29-18-19-4-2-1-3-5-19;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h7-37,42-43H,38-41,44H2,1-6H3;1-11,16-17,26-27H,12-15,18H2;5-16H2,1-4H3;1H/q;;+1;/p-1/b35-33+;9-7+;;
InChIKeyZRYJDRQXNVUCHU-VBOGMEROSA-M
MW1585.35 g/mol
LogP17.38
Rot. Bonds42

About 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

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 (PubChem CID 162203969) has the molecular formula C96H122FN3O8S2Si2 and a molecular weight of 1585.35 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[(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
PubChem CID162203969
Molecular FormulaC96H122FN3O8S2Si2
Molecular Weight1585.35 g/mol
Exact Mass1583.82
IUPAC Name5-[(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
SMILESCC(C)(C)[Si](OCCN(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1ccc(/C=C/c2ccc(C=O)s2)c(OCc2ccccc2)c1)(c1ccccc1)c1ccccc1.CCCC[N+](CCCC)(CCCC)CCCC.O=Cc1ccc(/C=C/c2ccc(N(CCO)CCO)cc2OCc2ccccc2)s1.[F-]
InChIInChI=1S/C56H61NO4SSi2.C24H25NO4S.C16H36N.FH/c1-55(2,3)63(50-24-14-8-15-25-50,51-26-16-9-17-27-51)60-40-38-57(39-41-61-64(56(4,5)6,52-28-18-10-19-29-52)53-30-20-11-21-31-53)47-34-32-46(33-35-48-36-37-49(43-58)62-48)54(42-47)59-44-45-22-12-7-13-23-45;26-14-12-25(13-15-27)21-8-6-20(7-9-22-10-11-23(17-28)30-22)24(16-21)29-18-19-4-2-1-3-5-19;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h7-37,42-43H,38-41,44H2,1-6H3;1-11,16-17,26-27H,12-15,18H2;5-16H2,1-4H3;1H/q;;+1;/p-1/b35-33+;9-7+;;
InChIKeyZRYJDRQXNVUCHU-VBOGMEROSA-M
XLogP17.38
TPSA118.00 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds42
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001585.35
LogP ≤ 517.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

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': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

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
5-[2-[2-[tert-butyl(diphenyl)silyl]oxy-4-(dibutylamino)phenyl]ethenyl]thiophene-2-carbaldehyde
CID 86667556
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-[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-[(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
5-[2-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]-2-phenylmethoxyphenyl]ethenyl]thiophene-2-carbaldehyde
CID 123610665
3-[4-[tert-butyl(diphenyl)silyl]oxybutoxy]-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propyl-4-(2-thiophen-2-ylethenyl)aniline
CID 158892831
4-[N-butyl-4-[(E)-2-[5-[(1E,3Z)-4,6-dimethyl-3-phenyl-5-(trifluoromethoxy)hepta-1,3,5-trienyl]thiophen-2-yl]ethenyl]-3-phenylmethoxyanilino]butan-1-ol
CID 88967914
[5-(dibutylamino)-2-[2-(5-formylthiophen-2-yl)ethenyl]phenyl] 2-methylprop-2-enoate
CID 123828799
2-[4-[(E)-2-[5-[(E)-2-[4-[4-hydroxybutyl(2-hydroxyethyl)amino]-2-phenylmethoxyphenyl]ethenyl]thiophen-2-yl]ethenyl]-3-isocyano-5,5-dimethylfuran-2-ylidene]propanedinitrile
CID 153411908
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
2-[4-[(E)-2-[5-[(E)-2-[4-[butyl(4-hydroxybutyl)amino]-2-phenylmethoxyphenyl]ethenyl]thiophen-2-yl]ethenyl]-3-cyano-5-methyl-5-(4-phenylphenyl)furan-2-ylidene]propanedinitrile
CID 139375686

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)[Si](OCCN(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1ccc(/C=C/c2ccc(C=O)s2)c(OCc2ccccc2)c1)(c1ccccc1)c1ccccc1.CCCC[N+](CCCC)(CCCC)CCCC.O=Cc1ccc(/C=C/c2ccc(N(CCO)CCO)cc2OCc2ccccc2)s1.[F-].
What is the InChIKey of 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?
The InChIKey is ZRYJDRQXNVUCHU-VBOGMEROSA-M. The full InChI is InChI=1S/C56H61NO4SSi2.C24H25NO4S.C16H36N.FH/c1-55(2,3)63(50-24-14-8-15-25-50,51-26-16-9-17-27-51)60-40-38-57(39-41-61-64(56(4,5)6,52-28-18-10-19-29-52)53-30-20-11-21-31-53)47-34-32-46(33-35-48-36-37-49(43-58)62-48)54(42-47)59-44-45-22-12-7-13-23-45;26-14-12-25(13-15-27)21-8-6-20(7-9-22-10-11-23(17-28)30-22)24(16-21)29-18-19-4-2-1-3-5-19;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h7-37,42-43H,38-41,44H2,1-6H3;1-11,16-17,26-27H,12-15,18H2;5-16H2,1-4H3;1H/q;;+1;/p-1/b35-33+;9-7+;;.
What are the key properties of 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?
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 has a molecular weight of 1585.35 g/mol, XLogP of 17.38, 42 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162203969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).