4-(2-hydroxynaphthalen-1-yl)-2-(pyridin-2-yldiazenyl)naphthalen-1-ol

C25H17N3O2 — CID 2246208

IUPAC4-(2-hydroxynaphthalen-1-yl)-2-(pyridin-2-yldiazenyl)naphthalen-1-ol
SMILESOc1ccc2ccccc2c1-c1cc(/N=N/c2ccccn2)c(O)c2ccccc12
InChIInChI=1S/C25H17N3O2/c29-22-13-12-16-7-1-2-8-17(16)24(22)20-15-21(27-28-23-11-5-6-14-26-23)25(30)19-10-4-3-9-18(19)20/h1-15,29-30H/b28-27+
InChIKeyOFDFDKGVOYFIEI-BYYHNAKLSA-N
MW391.43 g/mol
LogP6.88
Rot. Bonds3

About 4-(2-hydroxynaphthalen-1-yl)-2-(pyridin-2-yldiazenyl)naphthalen-1-ol

4-(2-hydroxynaphthalen-1-yl)-2-(pyridin-2-yldiazenyl)naphthalen-1-ol (PubChem CID 2246208) has the molecular formula C25H17N3O2 and a molecular weight of 391.43 g/mol. Its IUPAC name is 4-(2-hydroxynaphthalen-1-yl)-2-(pyridin-2-yldiazenyl)naphthalen-1-ol.

Molecular Properties

Compound Name4-(2-hydroxynaphthalen-1-yl)-2-(pyridin-2-yldiazenyl)naphthalen-1-ol
PubChem CID2246208
Molecular FormulaC25H17N3O2
Molecular Weight391.43 g/mol
Exact Mass391.13
IUPAC Name4-(2-hydroxynaphthalen-1-yl)-2-(pyridin-2-yldiazenyl)naphthalen-1-ol
SMILESOc1ccc2ccccc2c1-c1cc(/N=N/c2ccccn2)c(O)c2ccccc12
InChIInChI=1S/C25H17N3O2/c29-22-13-12-16-7-1-2-8-17(16)24(22)20-15-21(27-28-23-11-5-6-14-26-23)25(30)19-10-4-3-9-18(19)20/h1-15,29-30H/b28-27+
InChIKeyOFDFDKGVOYFIEI-BYYHNAKLSA-N
XLogP6.88
TPSA78.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.43
LogP ≤ 56.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(2-hydroxynaphthalen-1-yl)-2-(pyridin-2-yldiazenyl)naphthalen-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxynaphthalen-1-yl)-2-(pyridin-2-yldiazenyl)naphthalen-1-ol?
The IUPAC name of 4-(2-hydroxynaphthalen-1-yl)-2-(pyridin-2-yldiazenyl)naphthalen-1-ol (CID 2246208) is 4-(2-hydroxynaphthalen-1-yl)-2-(pyridin-2-yldiazenyl)naphthalen-1-ol.
What is the SMILES notation for 4-(2-hydroxynaphthalen-1-yl)-2-(pyridin-2-yldiazenyl)naphthalen-1-ol?
The canonical SMILES for 4-(2-hydroxynaphthalen-1-yl)-2-(pyridin-2-yldiazenyl)naphthalen-1-ol is Oc1ccc2ccccc2c1-c1cc(/N=N/c2ccccn2)c(O)c2ccccc12.
What is the InChIKey of 4-(2-hydroxynaphthalen-1-yl)-2-(pyridin-2-yldiazenyl)naphthalen-1-ol?
The InChIKey is OFDFDKGVOYFIEI-BYYHNAKLSA-N. The full InChI is InChI=1S/C25H17N3O2/c29-22-13-12-16-7-1-2-8-17(16)24(22)20-15-21(27-28-23-11-5-6-14-26-23)25(30)19-10-4-3-9-18(19)20/h1-15,29-30H/b28-27+.
What are the key properties of 4-(2-hydroxynaphthalen-1-yl)-2-(pyridin-2-yldiazenyl)naphthalen-1-ol?
4-(2-hydroxynaphthalen-1-yl)-2-(pyridin-2-yldiazenyl)naphthalen-1-ol has a molecular weight of 391.43 g/mol, XLogP of 6.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxynaphthalen-1-yl)-2-(pyridin-2-yldiazenyl)naphthalen-1-ol is sourced from PubChem (CID 2246208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).