bis(1,2-dimethoxyethane);bis(diphenylazanide);bis(diphenyldiazene);samarium

C56H60N6O4Sm2-2 — CID 11182433

IUPACbis(1,2-dimethoxyethane);bis(diphenylazanide);bis(diphenyldiazene);samarium
SMILESCOCCOC.COCCOC.[Sm].[Sm].c1ccc(/N=N/c2ccccc2)cc1.c1ccc(/N=N/c2ccccc2)cc1.c1ccc([N-]c2ccccc2)cc1.c1ccc([N-]c2ccccc2)cc1
InChIInChI=1S/2C12H10N2.2C12H10N.2C4H10O2.2Sm/c2*1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12;2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2*1-5-3-4-6-2;;/h2*1-10H;2*1-10H;2*3-4H2,1-2H3;;/q;;2*-1;;;;/b2*14-13+;;;;;;
InChIKeyJUXFUONDWZFIGE-GGQSYLTPSA-N
MW1181.85 g/mol
LogP16.81
Rot. Bonds14

About bis(1,2-dimethoxyethane);bis(diphenylazanide);bis(diphenyldiazene);samarium

bis(1,2-dimethoxyethane);bis(diphenylazanide);bis(diphenyldiazene);samarium (PubChem CID 11182433) has the molecular formula C56H60N6O4Sm2-2 and a molecular weight of 1181.85 g/mol. Its IUPAC name is bis(1,2-dimethoxyethane);bis(diphenylazanide);bis(diphenyldiazene);samarium.

Molecular Properties

Compound Namebis(1,2-dimethoxyethane);bis(diphenylazanide);bis(diphenyldiazene);samarium
PubChem CID11182433
Molecular FormulaC56H60N6O4Sm2-2
Molecular Weight1181.85 g/mol
Exact Mass1184.31
IUPAC Namebis(1,2-dimethoxyethane);bis(diphenylazanide);bis(diphenyldiazene);samarium
SMILESCOCCOC.COCCOC.[Sm].[Sm].c1ccc(/N=N/c2ccccc2)cc1.c1ccc(/N=N/c2ccccc2)cc1.c1ccc([N-]c2ccccc2)cc1.c1ccc([N-]c2ccccc2)cc1
InChIInChI=1S/2C12H10N2.2C12H10N.2C4H10O2.2Sm/c2*1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12;2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2*1-5-3-4-6-2;;/h2*1-10H;2*1-10H;2*3-4H2,1-2H3;;/q;;2*-1;;;;/b2*14-13+;;;;;;
InChIKeyJUXFUONDWZFIGE-GGQSYLTPSA-N
XLogP16.81
TPSA114.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001181.85
LogP ≤ 516.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

[4-[10-(4-methoxyphenoxy)decoxy]phenyl]-phenyldiazene
CID 71420351
diphenyldiazene;hydrofluoride
CID 174857584
1,2-dimethoxyethane;toluene;hydrate
CID 131731093
bis(diphenyldiazene);uranium;vanadium
CID 158886927
methyl 11-(4-phenyldiazenylphenoxy)undecanoate
CID 151541407
phenyl-(4-undecoxyphenyl)diazene
CID 162717560
N-(methoxymethyl)-3-phenyldiazenylaniline
CID 23618912
chlorotitanium(1+);diphenylazanide
CID 59831007
diphenyldiazene;urea
CID 175083568
octoxy(phenyl)diazene
CID 19023895
phenyl-[4-[[4-[8-[4-(4-propoxyphenyl)phenoxy]octoxy]phenyl]diazenyl]phenyl]diazene
CID 102419981
N-(4-methoxybutyl)aniline
CID 13042774

Frequently Asked Questions

What is the IUPAC name of bis(1,2-dimethoxyethane);bis(diphenylazanide);bis(diphenyldiazene);samarium?
The IUPAC name of bis(1,2-dimethoxyethane);bis(diphenylazanide);bis(diphenyldiazene);samarium (CID 11182433) is bis(1,2-dimethoxyethane);bis(diphenylazanide);bis(diphenyldiazene);samarium.
What is the SMILES notation for bis(1,2-dimethoxyethane);bis(diphenylazanide);bis(diphenyldiazene);samarium?
The canonical SMILES for bis(1,2-dimethoxyethane);bis(diphenylazanide);bis(diphenyldiazene);samarium is COCCOC.COCCOC.[Sm].[Sm].c1ccc(/N=N/c2ccccc2)cc1.c1ccc(/N=N/c2ccccc2)cc1.c1ccc([N-]c2ccccc2)cc1.c1ccc([N-]c2ccccc2)cc1.
What is the InChIKey of bis(1,2-dimethoxyethane);bis(diphenylazanide);bis(diphenyldiazene);samarium?
The InChIKey is JUXFUONDWZFIGE-GGQSYLTPSA-N. The full InChI is InChI=1S/2C12H10N2.2C12H10N.2C4H10O2.2Sm/c2*1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12;2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2*1-5-3-4-6-2;;/h2*1-10H;2*1-10H;2*3-4H2,1-2H3;;/q;;2*-1;;;;/b2*14-13+;;;;;;.
What are the key properties of bis(1,2-dimethoxyethane);bis(diphenylazanide);bis(diphenyldiazene);samarium?
bis(1,2-dimethoxyethane);bis(diphenylazanide);bis(diphenyldiazene);samarium has a molecular weight of 1181.85 g/mol, XLogP of 16.81, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,2-dimethoxyethane);bis(diphenylazanide);bis(diphenyldiazene);samarium is sourced from PubChem (CID 11182433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).