lithium;benzene;4-[2-[tert-butyl(diphenyl)silyl]oxyethyl-propylamino]benzaldehyde;N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propyl-4-(2-thiophen-2-ylethenyl)aniline;triphenyl(thiophen-2-ylmethyl)phosphanium;chloride

C90H99ClLiN2O3PS2Si2 — CID 161256362

IUPAClithium;benzene;4-[2-[tert-butyl(diphenyl)silyl]oxyethyl-propylamino]benzaldehyde;N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propyl-4-(2-thiophen-2-ylethenyl)aniline;triphenyl(thiophen-2-ylmethyl)phosphanium;chloride
SMILESCCCN(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1ccc(C=Cc2cccs2)cc1.CCCN(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1ccc(C=O)cc1.[Cl-].[Li+].[c-]1ccccc1.c1ccc([P+](Cc2cccs2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C33H39NOSSi.C28H35NO2Si.C23H20PS.C6H5.ClH.Li/c1-5-24-34(29-21-18-28(19-22-29)20-23-30-13-12-27-36-30)25-26-35-37(33(2,3)4,31-14-8-6-9-15-31)32-16-10-7-11-17-32;1-5-20-29(25-18-16-24(23-30)17-19-25)21-22-31-32(28(2,3)4,26-12-8-6-9-13-26)27-14-10-7-11-15-27;1-4-11-20(12-5-1)24(19-23-17-10-18-25-23,21-13-6-2-7-14-21)22-15-8-3-9-16-22;1-2-4-6-5-3-1;;/h6-23,27H,5,24-26H2,1-4H3;6-19,23H,5,20-22H2,1-4H3;1-18H,19H2;1-5H;1H;/q;;+1;-1;;+1/p-1
InChIKeyPFDLFWGBXWCZIV-UHFFFAOYSA-M
MW1450.47 g/mol
LogP13.74
Rot. Bonds26

About lithium;benzene;4-[2-[tert-butyl(diphenyl)silyl]oxyethyl-propylamino]benzaldehyde;N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propyl-4-(2-thiophen-2-ylethenyl)aniline;triphenyl(thiophen-2-ylmethyl)phosphanium;chloride

lithium;benzene;4-[2-[tert-butyl(diphenyl)silyl]oxyethyl-propylamino]benzaldehyde;N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propyl-4-(2-thiophen-2-ylethenyl)aniline;triphenyl(thiophen-2-ylmethyl)phosphanium;chloride (PubChem CID 161256362) has the molecular formula C90H99ClLiN2O3PS2Si2 and a molecular weight of 1450.47 g/mol. Its IUPAC name is lithium;benzene;4-[2-[tert-butyl(diphenyl)silyl]oxyethyl-propylamino]benzaldehyde;N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propyl-4-(2-thiophen-2-ylethenyl)aniline;triphenyl(thiophen-2-ylmethyl)phosphanium;chloride.

Molecular Properties

Compound Namelithium;benzene;4-[2-[tert-butyl(diphenyl)silyl]oxyethyl-propylamino]benzaldehyde;N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propyl-4-(2-thiophen-2-ylethenyl)aniline;triphenyl(thiophen-2-ylmethyl)phosphanium;chloride
PubChem CID161256362
Molecular FormulaC90H99ClLiN2O3PS2Si2
Molecular Weight1450.47 g/mol
Exact Mass1448.62
IUPAC Namelithium;benzene;4-[2-[tert-butyl(diphenyl)silyl]oxyethyl-propylamino]benzaldehyde;N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propyl-4-(2-thiophen-2-ylethenyl)aniline;triphenyl(thiophen-2-ylmethyl)phosphanium;chloride
SMILESCCCN(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1ccc(C=Cc2cccs2)cc1.CCCN(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1ccc(C=O)cc1.[Cl-].[Li+].[c-]1ccccc1.c1ccc([P+](Cc2cccs2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C33H39NOSSi.C28H35NO2Si.C23H20PS.C6H5.ClH.Li/c1-5-24-34(29-21-18-28(19-22-29)20-23-30-13-12-27-36-30)25-26-35-37(33(2,3)4,31-14-8-6-9-15-31)32-16-10-7-11-17-32;1-5-20-29(25-18-16-24(23-30)17-19-25)21-22-31-32(28(2,3)4,26-12-8-6-9-13-26)27-14-10-7-11-15-27;1-4-11-20(12-5-1)24(19-23-17-10-18-25-23,21-13-6-2-7-14-21)22-15-8-3-9-16-22;1-2-4-6-5-3-1;;/h6-23,27H,5,24-26H2,1-4H3;6-19,23H,5,20-22H2,1-4H3;1-18H,19H2;1-5H;1H;/q;;+1;-1;;+1/p-1
InChIKeyPFDLFWGBXWCZIV-UHFFFAOYSA-M
XLogP13.74
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds26
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001450.47
LogP ≤ 513.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze lithium;benzene;4-[2-[tert-butyl(diphenyl)silyl]oxyethyl-propylamino]benzaldehyde;N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propyl-4-(2-thiophen-2-ylethenyl)aniline;triphenyl(thiophen-2-ylmethyl)phosphanium;chloride with MolForge

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Related Compounds

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,N-diethyl-4-[(E)-2-thiophen-2-ylethenyl]aniline
CID 101038849
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
3-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]phenyl]prop-2-enal
CID 139740845
5-[N-ethyl-4-[(E)-2-thiophen-2-ylethenyl]anilino]pentan-1-ol
CID 58914188
N-[(E)-3-[(2Z)-2-[[4-(dipropylamino)phenyl]methylidene]hydrazinyl]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
CID 6385489
5-[2-[2-[tert-butyl(diphenyl)silyl]oxy-4-(dibutylamino)phenyl]ethenyl]thiophene-2-carbaldehyde
CID 86667556
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
4-[propan-2-yl(thiophen-2-ylmethyl)amino]benzaldehyde
CID 54946766
3,4-dibutoxy-5-[(E)-2-[3,4-dibutoxy-5-[(E)-2-[4-[6-[tert-butyl(dimethyl)silyl]oxyhexyl-ethylamino]phenyl]ethenyl]thiophen-2-yl]ethenyl]thiophene-2-carbaldehyde
CID 58609105
4-(dibutylamino)benzaldehyde
CID 605391
4-[(E)-2-thiophen-2-ylethenyl]pyridine
CID 10932177

Frequently Asked Questions

What is the IUPAC name of lithium;benzene;4-[2-[tert-butyl(diphenyl)silyl]oxyethyl-propylamino]benzaldehyde;N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propyl-4-(2-thiophen-2-ylethenyl)aniline;triphenyl(thiophen-2-ylmethyl)phosphanium;chloride?
The IUPAC name of lithium;benzene;4-[2-[tert-butyl(diphenyl)silyl]oxyethyl-propylamino]benzaldehyde;N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propyl-4-(2-thiophen-2-ylethenyl)aniline;triphenyl(thiophen-2-ylmethyl)phosphanium;chloride (CID 161256362) is lithium;benzene;4-[2-[tert-butyl(diphenyl)silyl]oxyethyl-propylamino]benzaldehyde;N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propyl-4-(2-thiophen-2-ylethenyl)aniline;triphenyl(thiophen-2-ylmethyl)phosphanium;chloride.
What is the SMILES notation for lithium;benzene;4-[2-[tert-butyl(diphenyl)silyl]oxyethyl-propylamino]benzaldehyde;N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propyl-4-(2-thiophen-2-ylethenyl)aniline;triphenyl(thiophen-2-ylmethyl)phosphanium;chloride?
The canonical SMILES for lithium;benzene;4-[2-[tert-butyl(diphenyl)silyl]oxyethyl-propylamino]benzaldehyde;N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propyl-4-(2-thiophen-2-ylethenyl)aniline;triphenyl(thiophen-2-ylmethyl)phosphanium;chloride is CCCN(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1ccc(C=Cc2cccs2)cc1.CCCN(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1ccc(C=O)cc1.[Cl-].[Li+].[c-]1ccccc1.c1ccc([P+](Cc2cccs2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of lithium;benzene;4-[2-[tert-butyl(diphenyl)silyl]oxyethyl-propylamino]benzaldehyde;N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propyl-4-(2-thiophen-2-ylethenyl)aniline;triphenyl(thiophen-2-ylmethyl)phosphanium;chloride?
The InChIKey is PFDLFWGBXWCZIV-UHFFFAOYSA-M. The full InChI is InChI=1S/C33H39NOSSi.C28H35NO2Si.C23H20PS.C6H5.ClH.Li/c1-5-24-34(29-21-18-28(19-22-29)20-23-30-13-12-27-36-30)25-26-35-37(33(2,3)4,31-14-8-6-9-15-31)32-16-10-7-11-17-32;1-5-20-29(25-18-16-24(23-30)17-19-25)21-22-31-32(28(2,3)4,26-12-8-6-9-13-26)27-14-10-7-11-15-27;1-4-11-20(12-5-1)24(19-23-17-10-18-25-23,21-13-6-2-7-14-21)22-15-8-3-9-16-22;1-2-4-6-5-3-1;;/h6-23,27H,5,24-26H2,1-4H3;6-19,23H,5,20-22H2,1-4H3;1-18H,19H2;1-5H;1H;/q;;+1;-1;;+1/p-1.
What are the key properties of lithium;benzene;4-[2-[tert-butyl(diphenyl)silyl]oxyethyl-propylamino]benzaldehyde;N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propyl-4-(2-thiophen-2-ylethenyl)aniline;triphenyl(thiophen-2-ylmethyl)phosphanium;chloride?
lithium;benzene;4-[2-[tert-butyl(diphenyl)silyl]oxyethyl-propylamino]benzaldehyde;N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propyl-4-(2-thiophen-2-ylethenyl)aniline;triphenyl(thiophen-2-ylmethyl)phosphanium;chloride has a molecular weight of 1450.47 g/mol, XLogP of 13.74, 26 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;benzene;4-[2-[tert-butyl(diphenyl)silyl]oxyethyl-propylamino]benzaldehyde;N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propyl-4-(2-thiophen-2-ylethenyl)aniline;triphenyl(thiophen-2-ylmethyl)phosphanium;chloride is sourced from PubChem (CID 161256362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).