1-(1-benzothiophen-3-yldiazenyl)naphthalen-2-ol

C18H12N2OS — CID 137301592

IUPAC1-(1-benzothiophen-3-yldiazenyl)naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/N=N/c1csc2ccccc12
InChIInChI=1S/C18H12N2OS/c21-16-10-9-12-5-1-2-6-13(12)18(16)20-19-15-11-22-17-8-4-3-7-14(15)17/h1-11,21H/b20-19+
InChIKeyBRBIWEQUCGVSRA-FMQUCBEESA-N
MW304.37 g/mol
LogP6.18
Rot. Bonds2

About 1-(1-benzothiophen-3-yldiazenyl)naphthalen-2-ol

1-(1-benzothiophen-3-yldiazenyl)naphthalen-2-ol (PubChem CID 137301592) has the molecular formula C18H12N2OS and a molecular weight of 304.37 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yldiazenyl)naphthalen-2-ol.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yldiazenyl)naphthalen-2-ol
PubChem CID137301592
Molecular FormulaC18H12N2OS
Molecular Weight304.37 g/mol
Exact Mass304.07
IUPAC Name1-(1-benzothiophen-3-yldiazenyl)naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/N=N/c1csc2ccccc12
InChIInChI=1S/C18H12N2OS/c21-16-10-9-12-5-1-2-6-13(12)18(16)20-19-15-11-22-17-8-4-3-7-14(15)17/h1-11,21H/b20-19+
InChIKeyBRBIWEQUCGVSRA-FMQUCBEESA-N
XLogP6.18
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.37
LogP ≤ 56.18
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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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yldiazenyl)naphthalen-2-ol?
The IUPAC name of 1-(1-benzothiophen-3-yldiazenyl)naphthalen-2-ol (CID 137301592) is 1-(1-benzothiophen-3-yldiazenyl)naphthalen-2-ol.
What is the SMILES notation for 1-(1-benzothiophen-3-yldiazenyl)naphthalen-2-ol?
The canonical SMILES for 1-(1-benzothiophen-3-yldiazenyl)naphthalen-2-ol is Oc1ccc2ccccc2c1/N=N/c1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-yldiazenyl)naphthalen-2-ol?
The InChIKey is BRBIWEQUCGVSRA-FMQUCBEESA-N. The full InChI is InChI=1S/C18H12N2OS/c21-16-10-9-12-5-1-2-6-13(12)18(16)20-19-15-11-22-17-8-4-3-7-14(15)17/h1-11,21H/b20-19+.
What are the key properties of 1-(1-benzothiophen-3-yldiazenyl)naphthalen-2-ol?
1-(1-benzothiophen-3-yldiazenyl)naphthalen-2-ol has a molecular weight of 304.37 g/mol, XLogP of 6.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yldiazenyl)naphthalen-2-ol is sourced from PubChem (CID 137301592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).