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

C78H86N2O5S2Si2 — CID 159853084

About 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

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 (PubChem CID 159853084) has the molecular formula C78H86N2O5S2Si2 and a molecular weight of 1251.86 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 159853084
• Molecular Formula: C78H86N2O5S2Si2
• Molecular Weight: 1251.86 g/mol
• Exact Mass: 1250.55
• IUPAC Name: 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
• SMILES: C.CN(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1ccc(C=Cc2ccc(C=O)s2)c(OCc2ccccc2)c1.CN(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1ccc(C=Cc2cccs2)c(OCc2ccccc2)c1
• InChI: InChI=1S/C39H41NO3SSi.C38H41NO2SSi.CH4/c1-39(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;1-38(2,3)43(35-18-10-6-11-19-35,36-20-12-7-13-21-36)41-27-26-39(4)33-24-22-32(23-25-34-17-14-28-42-34)37(29-33)40-30-31-15-8-5-9-16-31;/h5-25,28-29H,26-27,30H2,1-4H3;5-25,28-29H,26-27,30H2,1-4H3;1H4
• InChIKey: NQENLSYEXCYIOP-UHFFFAOYSA-N
• XLogP: 17.47
• TPSA: 60.47 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 25
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1251.86
LogP ≤ 5	17.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

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'}

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;N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-methyl-3-phenylmethoxy-4-(2-thiophen-2-ylethenyl)aniline;methane?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is C.CN(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1ccc(C=Cc2ccc(C=O)s2)c(OCc2ccccc2)c1.CN(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1ccc(C=Cc2cccs2)c(OCc2ccccc2)c1.

What is the InChIKey of 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?

The InChIKey is NQENLSYEXCYIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H41NO3SSi.C38H41NO2SSi.CH4/c1-39(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;1-38(2,3)43(35-18-10-6-11-19-35,36-20-12-7-13-21-36)41-27-26-39(4)33-24-22-32(23-25-34-17-14-28-42-34)37(29-33)40-30-31-15-8-5-9-16-31;/h5-25,28-29H,26-27,30H2,1-4H3;5-25,28-29H,26-27,30H2,1-4H3;1H4.

What are the key properties of 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?

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 has a molecular weight of 1251.86 g/mol, XLogP of 17.47, 25 rotatable bonds, 0 hydrogen bond donors, and 9 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;N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-methyl-3-phenylmethoxy-4-(2-thiophen-2-ylethenyl)aniline;methane is sourced from PubChem (CID 159853084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).