dizinc;N-[[2-[6-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]-4-(4-nonylphenyl)phenoxy]hexoxy]-5-(4-nonylphenyl)phenyl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine

C74H92N6O2Zn2+4 — CID 167379208

IUPACdizinc;N-[[2-[6-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]-4-(4-nonylphenyl)phenoxy]hexoxy]-5-(4-nonylphenyl)phenyl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
SMILESCCCCCCCCCc1ccc(-c2ccc(OCCCCCCOc3ccc(-c4ccc(CCCCCCCCC)cc4)cc3CN(Cc3ccccn3)Cc3ccccn3)c(CN(Cc3ccccn3)Cc3ccccn3)c2)cc1.[Zn+2].[Zn+2]
InChIInChI=1S/C74H92N6O2.2Zn/c1-3-5-7-9-11-13-17-29-61-35-39-63(40-36-61)65-43-45-73(67(53-65)55-79(57-69-31-19-23-47-75-69)58-70-32-20-24-48-76-70)81-51-27-15-16-28-52-82-74-46-44-66(64-41-37-62(38-42-64)30-18-14-12-10-8-6-4-2)54-68(74)56-80(59-71-33-21-25-49-77-71)60-72-34-22-26-50-78-72;;/h19-26,31-50,53-54H,3-18,27-30,51-52,55-60H2,1-2H3;;/q;2*+2
InChIKeyIDPOKMUIYAGLPZ-UHFFFAOYSA-N
MW1228.37 g/mol
LogP18.60
Rot. Bonds39

About dizinc;N-[[2-[6-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]-4-(4-nonylphenyl)phenoxy]hexoxy]-5-(4-nonylphenyl)phenyl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine

dizinc;N-[[2-[6-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]-4-(4-nonylphenyl)phenoxy]hexoxy]-5-(4-nonylphenyl)phenyl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine (PubChem CID 167379208) has the molecular formula C74H92N6O2Zn2+4 and a molecular weight of 1228.37 g/mol. Its IUPAC name is dizinc;N-[[2-[6-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]-4-(4-nonylphenyl)phenoxy]hexoxy]-5-(4-nonylphenyl)phenyl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine.

Molecular Properties

Compound Namedizinc;N-[[2-[6-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]-4-(4-nonylphenyl)phenoxy]hexoxy]-5-(4-nonylphenyl)phenyl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
PubChem CID167379208
Molecular FormulaC74H92N6O2Zn2+4
Molecular Weight1228.37 g/mol
Exact Mass1224.58
IUPAC Namedizinc;N-[[2-[6-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]-4-(4-nonylphenyl)phenoxy]hexoxy]-5-(4-nonylphenyl)phenyl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
SMILESCCCCCCCCCc1ccc(-c2ccc(OCCCCCCOc3ccc(-c4ccc(CCCCCCCCC)cc4)cc3CN(Cc3ccccn3)Cc3ccccn3)c(CN(Cc3ccccn3)Cc3ccccn3)c2)cc1.[Zn+2].[Zn+2]
InChIInChI=1S/C74H92N6O2.2Zn/c1-3-5-7-9-11-13-17-29-61-35-39-63(40-36-61)65-43-45-73(67(53-65)55-79(57-69-31-19-23-47-75-69)58-70-32-20-24-48-76-70)81-51-27-15-16-28-52-82-74-46-44-66(64-41-37-62(38-42-64)30-18-14-12-10-8-6-4-2)54-68(74)56-80(59-71-33-21-25-49-77-71)60-72-34-22-26-50-78-72;;/h19-26,31-50,53-54H,3-18,27-30,51-52,55-60H2,1-2H3;;/q;2*+2
InChIKeyIDPOKMUIYAGLPZ-UHFFFAOYSA-N
XLogP18.60
TPSA76.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds39
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001228.37
LogP ≤ 518.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze dizinc;N-[[2-[6-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]-4-(4-nonylphenyl)phenoxy]hexoxy]-5-(4-nonylphenyl)phenyl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine with MolForge

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Related Compounds

1-(4-dodecylphenyl)-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 70525821
2-fluoro-1-hexoxy-4-[4-(4-pentylphenyl)phenyl]benzene
CID 101490841
2-fluoro-4-(4-heptylphenyl)benzaldehyde;2-(2-methoxyethyl)pyridine
CID 143394531
2-pyridin-2-ylethyl 2-methyl-4-(4-octylphenyl)benzoate
CID 68944659
3-butoxy-2-(4-hexylphenyl)pyridine
CID 19841922
2-[4-(4-hexylphenyl)phenyl]pyrimidine
CID 57180081
2,6-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-propylphenol;ethane
CID 157384836
2-undecylpyridine
CID 66882765
1-[4-(4-heptylphenyl)-2-methylphenyl]-4-pyridin-2-ylbutan-1-one
CID 143394524
3-methyl-4-(4-octylphenyl)benzoic acid;2-pyridin-2-ylethanol
CID 68946728
2-hexadecylpyridine;hydrate
CID 141211108
2-tetradecylpyridine;hydrochloride
CID 45489746

Frequently Asked Questions

What is the IUPAC name of dizinc;N-[[2-[6-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]-4-(4-nonylphenyl)phenoxy]hexoxy]-5-(4-nonylphenyl)phenyl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine?
The IUPAC name of dizinc;N-[[2-[6-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]-4-(4-nonylphenyl)phenoxy]hexoxy]-5-(4-nonylphenyl)phenyl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine (CID 167379208) is dizinc;N-[[2-[6-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]-4-(4-nonylphenyl)phenoxy]hexoxy]-5-(4-nonylphenyl)phenyl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine.
What is the SMILES notation for dizinc;N-[[2-[6-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]-4-(4-nonylphenyl)phenoxy]hexoxy]-5-(4-nonylphenyl)phenyl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine?
The canonical SMILES for dizinc;N-[[2-[6-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]-4-(4-nonylphenyl)phenoxy]hexoxy]-5-(4-nonylphenyl)phenyl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine is CCCCCCCCCc1ccc(-c2ccc(OCCCCCCOc3ccc(-c4ccc(CCCCCCCCC)cc4)cc3CN(Cc3ccccn3)Cc3ccccn3)c(CN(Cc3ccccn3)Cc3ccccn3)c2)cc1.[Zn+2].[Zn+2].
What is the InChIKey of dizinc;N-[[2-[6-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]-4-(4-nonylphenyl)phenoxy]hexoxy]-5-(4-nonylphenyl)phenyl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine?
The InChIKey is IDPOKMUIYAGLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H92N6O2.2Zn/c1-3-5-7-9-11-13-17-29-61-35-39-63(40-36-61)65-43-45-73(67(53-65)55-79(57-69-31-19-23-47-75-69)58-70-32-20-24-48-76-70)81-51-27-15-16-28-52-82-74-46-44-66(64-41-37-62(38-42-64)30-18-14-12-10-8-6-4-2)54-68(74)56-80(59-71-33-21-25-49-77-71)60-72-34-22-26-50-78-72;;/h19-26,31-50,53-54H,3-18,27-30,51-52,55-60H2,1-2H3;;/q;2*+2.
What are the key properties of dizinc;N-[[2-[6-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]-4-(4-nonylphenyl)phenoxy]hexoxy]-5-(4-nonylphenyl)phenyl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine?
dizinc;N-[[2-[6-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]-4-(4-nonylphenyl)phenoxy]hexoxy]-5-(4-nonylphenyl)phenyl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine has a molecular weight of 1228.37 g/mol, XLogP of 18.60, 39 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dizinc;N-[[2-[6-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]-4-(4-nonylphenyl)phenoxy]hexoxy]-5-(4-nonylphenyl)phenyl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine is sourced from PubChem (CID 167379208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).