1-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(22),18,20-trien-19-yldiazenyl)naphthalen-2-ol

C26H30N2O7 — CID 177464386

IUPAC1-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(22),18,20-trien-19-yldiazenyl)naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/N=N/c1cccc2c1OCCOCCOCCOCCOCCO2
InChIInChI=1S/C26H30N2O7/c29-23-9-8-20-4-1-2-5-21(20)25(23)28-27-22-6-3-7-24-26(22)35-19-17-33-15-13-31-11-10-30-12-14-32-16-18-34-24/h1-9,29H,10-19H2/b28-27+
InChIKeySYHIBSYSLFYCOU-BYYHNAKLSA-N
MW482.53 g/mol
LogP4.80
Rot. Bonds2

About 1-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(22),18,20-trien-19-yldiazenyl)naphthalen-2-ol

1-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(22),18,20-trien-19-yldiazenyl)naphthalen-2-ol (PubChem CID 177464386) 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(22),18,20-trien-19-yldiazenyl)naphthalen-2-ol.

Molecular Properties

Compound Name1-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(22),18,20-trien-19-yldiazenyl)naphthalen-2-ol
PubChem CID177464386
Molecular FormulaC26H30N2O7
Molecular Weight482.53 g/mol
Exact Mass482.21
IUPAC Name1-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(22),18,20-trien-19-yldiazenyl)naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/N=N/c1cccc2c1OCCOCCOCCOCCOCCO2
InChIInChI=1S/C26H30N2O7/c29-23-9-8-20-4-1-2-5-21(20)25(23)28-27-22-6-3-7-24-26(22)35-19-17-33-15-13-31-11-10-30-12-14-32-16-18-34-24/h1-9,29H,10-19H2/b28-27+
InChIKeySYHIBSYSLFYCOU-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

ethane;1-phenyldiazenylnaphthalen-2-ol
CID 136657953
sodium 5-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-2-sulfonate
CID 135488958
12,15,18,21,42,45,48,51-octaoxanonacyclo[50.8.0.02,11.03,8.022,31.025,30.032,41.033,38.055,60]hexaconta-1(52),2(11),3,5,7,9,22(31),23,25,27,29,32(41),33,35,37,39,53,55,57,59-icosaene
CID 101060260
1-[[25-[(2-aminonaphthalen-1-yl)diazenyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]diazenyl]naphthalen-2-amine
CID 102505998
1-[(2,3,5,6-tetramethyl-4-phenyldiazenylphenyl)diazenyl]naphthalen-2-ol
CID 135977813
1-(cyclopropyldiazenyl)naphthalen-2-ol
CID 135693137
1-phenyldiazenylnaphthalene-2-carbaldehyde;1-phenyldiazenylnaphthalen-2-ol
CID 159712546
1,4-dioxane;phenanthren-1-ylmethanol
CID 174807196
3,6,9,20,23,26,40,43,46,49,52-undecaoxanonacyclo[36.25.1.128,54.02,60.010,15.014,19.027,32.034,39.053,58]pentahexaconta-1(63),2(60),10,12,14,16,18,27,29,31,34,36,38,53(58),54,56,61-heptadecaene
CID 101388994
2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(22),18,20-triene-19,22-diol
CID 13447077
1-[(1,3-dimethylpyrazol-4-yl)diazenyl]naphthalen-2-ol
CID 136818473
2,5,8,11,14,21,24,27,30,33-decaoxatricyclo[32.4.0.015,20]octatriaconta-1(38),15,17,19,34,36-hexaene;2,5,8,15,18,21,24-heptaoxatricyclo[23.4.0.09,14]nonacosa-1(29),9,11,13,25,27-hexaene;2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12,14,16,28,30-hexaene
CID 161330562

Frequently Asked Questions

What is the IUPAC name of 1-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(22),18,20-trien-19-yldiazenyl)naphthalen-2-ol?
The IUPAC name of 1-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(22),18,20-trien-19-yldiazenyl)naphthalen-2-ol (CID 177464386) is 1-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(22),18,20-trien-19-yldiazenyl)naphthalen-2-ol.
What is the SMILES notation for 1-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(22),18,20-trien-19-yldiazenyl)naphthalen-2-ol?
The canonical SMILES for 1-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(22),18,20-trien-19-yldiazenyl)naphthalen-2-ol is Oc1ccc2ccccc2c1/N=N/c1cccc2c1OCCOCCOCCOCCOCCO2.
What is the InChIKey of 1-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(22),18,20-trien-19-yldiazenyl)naphthalen-2-ol?
The InChIKey is SYHIBSYSLFYCOU-BYYHNAKLSA-N. The full InChI is InChI=1S/C26H30N2O7/c29-23-9-8-20-4-1-2-5-21(20)25(23)28-27-22-6-3-7-24-26(22)35-19-17-33-15-13-31-11-10-30-12-14-32-16-18-34-24/h1-9,29H,10-19H2/b28-27+.
What are the key properties of 1-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(22),18,20-trien-19-yldiazenyl)naphthalen-2-ol?
1-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(22),18,20-trien-19-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(22),18,20-trien-19-yldiazenyl)naphthalen-2-ol is sourced from PubChem (CID 177464386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).