N-(2-tritylsulfanylethyl)-1-[6-(2-tritylsulfanylethyliminomethyl)-2-pyridinyl]methanimine

C49H43N3S2 — CID 15425024

IUPACN-(2-tritylsulfanylethyl)-1-[6-(2-tritylsulfanylethyliminomethyl)-2-pyridinyl]methanimine
SMILESC(=N/CCSC(c1ccccc1)(c1ccccc1)c1ccccc1)\c1cccc(/C=N/CCSC(c2ccccc2)(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C49H43N3S2/c1-7-20-40(21-8-1)48(41-22-9-2-10-23-41,42-24-11-3-12-25-42)53-36-34-50-38-46-32-19-33-47(52-46)39-51-35-37-54-49(43-26-13-4-14-27-43,44-28-15-5-16-29-44)45-30-17-6-18-31-45/h1-33,38-39H,34-37H2/b50-38+,51-39+
InChIKeyLWFMFMYQADAVOC-BYQQLPCHSA-N
MW738.04 g/mol
LogP11.37
Rot. Bonds16

About N-(2-tritylsulfanylethyl)-1-[6-(2-tritylsulfanylethyliminomethyl)-2-pyridinyl]methanimine

N-(2-tritylsulfanylethyl)-1-[6-(2-tritylsulfanylethyliminomethyl)-2-pyridinyl]methanimine (PubChem CID 15425024) has the molecular formula C49H43N3S2 and a molecular weight of 738.04 g/mol. Its IUPAC name is N-(2-tritylsulfanylethyl)-1-[6-(2-tritylsulfanylethyliminomethyl)-2-pyridinyl]methanimine.

Molecular Properties

Compound NameN-(2-tritylsulfanylethyl)-1-[6-(2-tritylsulfanylethyliminomethyl)-2-pyridinyl]methanimine
PubChem CID15425024
Molecular FormulaC49H43N3S2
Molecular Weight738.04 g/mol
Exact Mass737.29
IUPAC NameN-(2-tritylsulfanylethyl)-1-[6-(2-tritylsulfanylethyliminomethyl)-2-pyridinyl]methanimine
SMILESC(=N/CCSC(c1ccccc1)(c1ccccc1)c1ccccc1)\c1cccc(/C=N/CCSC(c2ccccc2)(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C49H43N3S2/c1-7-20-40(21-8-1)48(41-22-9-2-10-23-41,42-24-11-3-12-25-42)53-36-34-50-38-46-32-19-33-47(52-46)39-51-35-37-54-49(43-26-13-4-14-27-43,44-28-15-5-16-29-44)45-30-17-6-18-31-45/h1-33,38-39H,34-37H2/b50-38+,51-39+
InChIKeyLWFMFMYQADAVOC-BYQQLPCHSA-N
XLogP11.37
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.04
LogP ≤ 511.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

N-(2-benzylsulfanylethyl)-1-[6-(2-benzylsulfanylethyliminomethyl)-2-pyridinyl]methanimine
CID 15425023
2-tritylsulfanylethanethiol
CID 59035458
N-tetradecyl-1-[6-(tetradecyliminomethyl)-2-pyridinyl]methanimine
CID 122366565
1-ethyl-3-(2-tritylsulfanylethyl)benzene
CID 130222223
1-(6-pyridin-2-yl-2-pyridinyl)-N-[2-[(6-pyridin-2-yl-2-pyridinyl)methylideneamino]ethyl]methanimine
CID 102521217
[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylsulfanyl-diphenylmethyl]benzene
CID 138491924
N-(2-phenylethyl)-1-pyridin-2-ylmethanimine
CID 15790389
[6-[3-[[6-(hydroxymethyl)-2-pyridinyl]methylideneamino]propyliminomethyl]-2-pyridinyl]methanol
CID 102215916
2-[(6-methyl-2-pyridinyl)methylideneamino]ethanol
CID 102086230
1-quinolin-2-yl-N-[2-(quinolin-2-ylmethylideneamino)ethyl]methanimine
CID 68976214
5-tritylsulfanylpentan-1-amine
CID 71533766
N-benzyl-1-(6-methyl-2-pyridinyl)methanimine
CID 71333948

Frequently Asked Questions

What is the IUPAC name of N-(2-tritylsulfanylethyl)-1-[6-(2-tritylsulfanylethyliminomethyl)-2-pyridinyl]methanimine?
The IUPAC name of N-(2-tritylsulfanylethyl)-1-[6-(2-tritylsulfanylethyliminomethyl)-2-pyridinyl]methanimine (CID 15425024) is N-(2-tritylsulfanylethyl)-1-[6-(2-tritylsulfanylethyliminomethyl)-2-pyridinyl]methanimine.
What is the SMILES notation for N-(2-tritylsulfanylethyl)-1-[6-(2-tritylsulfanylethyliminomethyl)-2-pyridinyl]methanimine?
The canonical SMILES for N-(2-tritylsulfanylethyl)-1-[6-(2-tritylsulfanylethyliminomethyl)-2-pyridinyl]methanimine is C(=N/CCSC(c1ccccc1)(c1ccccc1)c1ccccc1)\c1cccc(/C=N/CCSC(c2ccccc2)(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of N-(2-tritylsulfanylethyl)-1-[6-(2-tritylsulfanylethyliminomethyl)-2-pyridinyl]methanimine?
The InChIKey is LWFMFMYQADAVOC-BYQQLPCHSA-N. The full InChI is InChI=1S/C49H43N3S2/c1-7-20-40(21-8-1)48(41-22-9-2-10-23-41,42-24-11-3-12-25-42)53-36-34-50-38-46-32-19-33-47(52-46)39-51-35-37-54-49(43-26-13-4-14-27-43,44-28-15-5-16-29-44)45-30-17-6-18-31-45/h1-33,38-39H,34-37H2/b50-38+,51-39+.
What are the key properties of N-(2-tritylsulfanylethyl)-1-[6-(2-tritylsulfanylethyliminomethyl)-2-pyridinyl]methanimine?
N-(2-tritylsulfanylethyl)-1-[6-(2-tritylsulfanylethyliminomethyl)-2-pyridinyl]methanimine has a molecular weight of 738.04 g/mol, XLogP of 11.37, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tritylsulfanylethyl)-1-[6-(2-tritylsulfanylethyliminomethyl)-2-pyridinyl]methanimine is sourced from PubChem (CID 15425024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).