1-[(2-phenoxynaphthalen-1-yl)diazenyl]naphthalen-2-ol

C26H18N2O2 — CID 135514019

IUPAC1-[(2-phenoxynaphthalen-1-yl)diazenyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/N=N/c1c(Oc2ccccc2)ccc2ccccc12
InChIInChI=1S/C26H18N2O2/c29-23-16-14-18-8-4-6-12-21(18)25(23)27-28-26-22-13-7-5-9-19(22)15-17-24(26)30-20-10-2-1-3-11-20/h1-17,29H/b28-27+
InChIKeyBKLOIASTYGUTRB-BYYHNAKLSA-N
MW390.44 g/mol
LogP7.91
Rot. Bonds4

About 1-[(2-phenoxynaphthalen-1-yl)diazenyl]naphthalen-2-ol

1-[(2-phenoxynaphthalen-1-yl)diazenyl]naphthalen-2-ol (PubChem CID 135514019) has the molecular formula C26H18N2O2 and a molecular weight of 390.44 g/mol. Its IUPAC name is 1-[(2-phenoxynaphthalen-1-yl)diazenyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(2-phenoxynaphthalen-1-yl)diazenyl]naphthalen-2-ol
PubChem CID135514019
Molecular FormulaC26H18N2O2
Molecular Weight390.44 g/mol
Exact Mass390.14
IUPAC Name1-[(2-phenoxynaphthalen-1-yl)diazenyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/N=N/c1c(Oc2ccccc2)ccc2ccccc12
InChIInChI=1S/C26H18N2O2/c29-23-16-14-18-8-4-6-12-21(18)25(23)27-28-26-22-13-7-5-9-19(22)15-17-24(26)30-20-10-2-1-3-11-20/h1-17,29H/b28-27+
InChIKeyBKLOIASTYGUTRB-BYYHNAKLSA-N
XLogP7.91
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.44
LogP ≤ 57.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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
1-phenoxynaphthalen-2-ol
CID 5271325
1-[(2,3,5,6-tetramethyl-4-phenyldiazenylphenyl)diazenyl]naphthalen-2-ol
CID 135977813
1-[(3-methoxy-2-pyridinyl)diazenyl]naphthalen-2-ol
CID 135718521
1-[[5-methyl-2-(2-phenylethoxy)phenyl]diazenyl]naphthalen-2-ol
CID 2843870
1-(bromomethyl)-2-phenoxynaphthalene
CID 142635993
1-(cyclopropyldiazenyl)naphthalen-2-ol
CID 135693137
1-phenyldiazenylnaphthalene-2-carbaldehyde;1-phenyldiazenylnaphthalen-2-ol
CID 159712546
1-[(2,4-dichloro-6-hydroxyphenyl)diazenyl]naphthalen-2-ol
CID 135727362
1-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]naphthalen-2-ol
CID 135418326
CID 170843851
CID 170843851
3-hydroxy-2-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid
CID 136595298

Frequently Asked Questions

What is the IUPAC name of 1-[(2-phenoxynaphthalen-1-yl)diazenyl]naphthalen-2-ol?
The IUPAC name of 1-[(2-phenoxynaphthalen-1-yl)diazenyl]naphthalen-2-ol (CID 135514019) is 1-[(2-phenoxynaphthalen-1-yl)diazenyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(2-phenoxynaphthalen-1-yl)diazenyl]naphthalen-2-ol?
The canonical SMILES for 1-[(2-phenoxynaphthalen-1-yl)diazenyl]naphthalen-2-ol is Oc1ccc2ccccc2c1/N=N/c1c(Oc2ccccc2)ccc2ccccc12.
What is the InChIKey of 1-[(2-phenoxynaphthalen-1-yl)diazenyl]naphthalen-2-ol?
The InChIKey is BKLOIASTYGUTRB-BYYHNAKLSA-N. The full InChI is InChI=1S/C26H18N2O2/c29-23-16-14-18-8-4-6-12-21(18)25(23)27-28-26-22-13-7-5-9-19(22)15-17-24(26)30-20-10-2-1-3-11-20/h1-17,29H/b28-27+.
What are the key properties of 1-[(2-phenoxynaphthalen-1-yl)diazenyl]naphthalen-2-ol?
1-[(2-phenoxynaphthalen-1-yl)diazenyl]naphthalen-2-ol has a molecular weight of 390.44 g/mol, XLogP of 7.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-phenoxynaphthalen-1-yl)diazenyl]naphthalen-2-ol is sourced from PubChem (CID 135514019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).