1-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yldiazenyl)naphthalen-2-ol

C26H30N2O7 — CID 589171

IUPAC1-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yldiazenyl)naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/N=N/c1ccc2c(c1)OCCOCCOCCOCCOCCO2
InChIInChI=1S/C26H30N2O7/c29-23-7-5-20-3-1-2-4-22(20)26(23)28-27-21-6-8-24-25(19-21)35-18-16-33-14-12-31-10-9-30-11-13-32-15-17-34-24/h1-8,19,29H,9-18H2/b28-27+
InChIKeyUJJCWYXPBFITJL-BYYHNAKLSA-N
MW482.53 g/mol
LogP4.80
Rot. Bonds2

About 1-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yldiazenyl)naphthalen-2-ol

1-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yldiazenyl)naphthalen-2-ol (PubChem CID 589171) has the molecular formula C26H30N2O7 and a molecular weight of 482.53 g/mol. Its IUPAC name is 1-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yldiazenyl)naphthalen-2-ol.

Molecular Properties

Compound Name1-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yldiazenyl)naphthalen-2-ol
PubChem CID589171
Molecular FormulaC26H30N2O7
Molecular Weight482.53 g/mol
Exact Mass482.21
IUPAC Name1-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yldiazenyl)naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/N=N/c1ccc2c(c1)OCCOCCOCCOCCOCCO2
InChIInChI=1S/C26H30N2O7/c29-23-7-5-20-3-1-2-4-22(20)26(23)28-27-21-6-8-24-25(19-21)35-18-16-33-14-12-31-10-9-30-11-13-32-15-17-34-24/h1-8,19,29H,9-18H2/b28-27+
InChIKeyUJJCWYXPBFITJL-BYYHNAKLSA-N
XLogP4.80
TPSA100.33 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.53
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

C.I. Solvent Red 80
CID 22830
Solvent red 1
CID 14678
2-Methoxy-4-(2-naphthyldiazenyl)phenol
CID 135442100
2-[(3-Methoxyphenyl)diazenyl]-1-naphthol
CID 135442101
1-(4-Methoxyphenylazo)-2-naphthol
CID 139450
1-Naphthalenol, 4-[(4-ethoxyphenyl)azo]-
CID 81021
[4-(3-Amino-4,5-dimethoxyphenyl)-6,7-diethoxy-3-(hydroxymethyl)naphthalen-2-yl]methanol;hydrochloride
CID 45261098
1-((4-Methoxy-2-nitrophenyl)azo)-2-naphthol
CID 162577
1-[2-(2-Methoxy-5-methylphenyl)diazenyl]-2-naphthalenol
CID 22918
2-[2-(4-Ethoxyphenyl)diazenyl]-1-naphthalenol
CID 3019160
Naphthoquinone 1-(1,3-benzodioxol-5-ylhydrazone)
CID 5085983
Phenol, 4-(2-(4-(2-(4-(2-hydroxyethoxy)phenyl)diazenyl)-2-methoxy-5-methylphenyl)diazenyl)-
CID 82443

Frequently Asked Questions

What is the IUPAC name of 1-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yldiazenyl)naphthalen-2-ol?
The IUPAC name of 1-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yldiazenyl)naphthalen-2-ol (CID 589171) is 1-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yldiazenyl)naphthalen-2-ol.
What is the SMILES notation for 1-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yldiazenyl)naphthalen-2-ol?
The canonical SMILES for 1-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yldiazenyl)naphthalen-2-ol is Oc1ccc2ccccc2c1/N=N/c1ccc2c(c1)OCCOCCOCCOCCOCCO2.
What is the InChIKey of 1-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yldiazenyl)naphthalen-2-ol?
The InChIKey is UJJCWYXPBFITJL-BYYHNAKLSA-N. The full InChI is InChI=1S/C26H30N2O7/c29-23-7-5-20-3-1-2-4-22(20)26(23)28-27-21-6-8-24-25(19-21)35-18-16-33-14-12-31-10-9-30-11-13-32-15-17-34-24/h1-8,19,29H,9-18H2/b28-27+.
What are the key properties of 1-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yldiazenyl)naphthalen-2-ol?
1-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yldiazenyl)naphthalen-2-ol has a molecular weight of 482.53 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yldiazenyl)naphthalen-2-ol is sourced from PubChem (CID 589171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).