2-[(4-hydroxynaphthalen-1-yl)diazenyl]anthracene-9,10-dione

C24H14N2O3 — CID 136661095

IUPAC2-[(4-hydroxynaphthalen-1-yl)diazenyl]anthracene-9,10-dione
SMILESO=C1c2ccccc2C(=O)c2cc(/N=N/c3ccc(O)c4ccccc34)ccc21
InChIInChI=1S/C24H14N2O3/c27-22-12-11-21(15-5-1-2-6-16(15)22)26-25-14-9-10-19-20(13-14)24(29)18-8-4-3-7-17(18)23(19)28/h1-13,27H/b26-25+
InChIKeyQYOQJFPXLAIICN-OCEACIFDSA-N
MW378.39 g/mol
LogP5.74
Rot. Bonds2

About 2-[(4-hydroxynaphthalen-1-yl)diazenyl]anthracene-9,10-dione

2-[(4-hydroxynaphthalen-1-yl)diazenyl]anthracene-9,10-dione (PubChem CID 136661095) has the molecular formula C24H14N2O3 and a molecular weight of 378.39 g/mol. Its IUPAC name is 2-[(4-hydroxynaphthalen-1-yl)diazenyl]anthracene-9,10-dione.

Molecular Properties

Compound Name2-[(4-hydroxynaphthalen-1-yl)diazenyl]anthracene-9,10-dione
PubChem CID136661095
Molecular FormulaC24H14N2O3
Molecular Weight378.39 g/mol
Exact Mass378.10
IUPAC Name2-[(4-hydroxynaphthalen-1-yl)diazenyl]anthracene-9,10-dione
SMILESO=C1c2ccccc2C(=O)c2cc(/N=N/c3ccc(O)c4ccccc34)ccc21
InChIInChI=1S/C24H14N2O3/c27-22-12-11-21(15-5-1-2-6-16(15)22)26-25-14-9-10-19-20(13-14)24(29)18-8-4-3-7-17(18)23(19)28/h1-13,27H/b26-25+
InChIKeyQYOQJFPXLAIICN-OCEACIFDSA-N
XLogP5.74
TPSA79.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.39
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

2-phenyldiazenylanthracene-9,10-dione
CID 88640255
sodium 5-[(4-hydroxynaphthalen-1-yl)diazenyl]-2-[(E)-2-[4-[(4-hydroxynaphthalen-1-yl)diazenyl]-2-sulfophenyl]ethenyl]benzenesulfonic acid
CID 135421920
4-[(4-hydroxy-3-propan-2-ylphenyl)diazenyl]naphthalene-1-sulfonic acid
CID 135600701
CID 137242223
CID 137242223
2,3-dihydroxyanthracene-9,10-dione
CID 11031986
anthracene-9,10-diol;anthracene-9,10-dione
CID 88635748
4-[(2-nitrophenyl)diazenyl]naphthalen-1-ol
CID 3525274
disodium;2-hydroxy-5-[[4-[4-[[4-[(1-hydroxy-4-sulfonatonaphthalen-2-yl)diazenyl]naphthalen-1-yl]diazenyl]phenyl]phenyl]diazenyl]benzoate
CID 165362969
8-[(4-hydroxynaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid
CID 4189423
10-(3,4-dihydroxyphenyl)iminoanthracen-9-one
CID 135457303
4-[(3-chloro-2-methylphenyl)diazenyl]naphthalen-1-ol
CID 4238323
2-hydroxyanthracene-9,10-dione
CID 11796

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxynaphthalen-1-yl)diazenyl]anthracene-9,10-dione?
The IUPAC name of 2-[(4-hydroxynaphthalen-1-yl)diazenyl]anthracene-9,10-dione (CID 136661095) is 2-[(4-hydroxynaphthalen-1-yl)diazenyl]anthracene-9,10-dione.
What is the SMILES notation for 2-[(4-hydroxynaphthalen-1-yl)diazenyl]anthracene-9,10-dione?
The canonical SMILES for 2-[(4-hydroxynaphthalen-1-yl)diazenyl]anthracene-9,10-dione is O=C1c2ccccc2C(=O)c2cc(/N=N/c3ccc(O)c4ccccc34)ccc21.
What is the InChIKey of 2-[(4-hydroxynaphthalen-1-yl)diazenyl]anthracene-9,10-dione?
The InChIKey is QYOQJFPXLAIICN-OCEACIFDSA-N. The full InChI is InChI=1S/C24H14N2O3/c27-22-12-11-21(15-5-1-2-6-16(15)22)26-25-14-9-10-19-20(13-14)24(29)18-8-4-3-7-17(18)23(19)28/h1-13,27H/b26-25+.
What are the key properties of 2-[(4-hydroxynaphthalen-1-yl)diazenyl]anthracene-9,10-dione?
2-[(4-hydroxynaphthalen-1-yl)diazenyl]anthracene-9,10-dione has a molecular weight of 378.39 g/mol, XLogP of 5.74, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxynaphthalen-1-yl)diazenyl]anthracene-9,10-dione is sourced from PubChem (CID 136661095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).