10-[[(4-chlorophenyl)diazenyl]methylidene]anthracen-9-one

C21H13ClN2O — CID 23547399

IUPAC10-[[(4-chlorophenyl)diazenyl]methylidene]anthracen-9-one
SMILESO=C1c2ccccc2C(=C/N=N/c2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C21H13ClN2O/c22-14-9-11-15(12-10-14)24-23-13-20-16-5-1-3-7-18(16)21(25)19-8-4-2-6-17(19)20/h1-13H/b24-23+
InChIKeySONFXKCGOKJMOV-WCWDXBQESA-N
MW344.80 g/mol
LogP6.06
Rot. Bonds2

About 10-[[(4-chlorophenyl)diazenyl]methylidene]anthracen-9-one

10-[[(4-chlorophenyl)diazenyl]methylidene]anthracen-9-one (PubChem CID 23547399) has the molecular formula C21H13ClN2O and a molecular weight of 344.80 g/mol. Its IUPAC name is 10-[[(4-chlorophenyl)diazenyl]methylidene]anthracen-9-one.

Molecular Properties

Compound Name10-[[(4-chlorophenyl)diazenyl]methylidene]anthracen-9-one
PubChem CID23547399
Molecular FormulaC21H13ClN2O
Molecular Weight344.80 g/mol
Exact Mass344.07
IUPAC Name10-[[(4-chlorophenyl)diazenyl]methylidene]anthracen-9-one
SMILESO=C1c2ccccc2C(=C/N=N/c2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C21H13ClN2O/c22-14-9-11-15(12-10-14)24-23-13-20-16-5-1-3-7-18(16)21(25)19-8-4-2-6-17(19)20/h1-13H/b24-23+
InChIKeySONFXKCGOKJMOV-WCWDXBQESA-N
XLogP6.06
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.80
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

2,6-ditert-butyl-4-[[(4-chlorophenyl)diazenyl]methylidene]cyclohexa-2,5-dien-1-one
CID 13007847
2-(4-chlorophenyl)iminonaphthalene-1,4-dione
CID 54237267
2-[(4-chlorophenyl)diazenyl]oxyisoindole-1,3-dione
CID 11514965
4-[[(4-chlorophenyl)diazenyl]methylidene]-2,6-dicyclohexylcyclohexa-2,5-dien-1-one
CID 22899900
2,6-dibutyl-4-[[(4-chlorophenyl)diazenyl]methylidene]cyclohexa-2,5-dien-1-one
CID 71051838
2-phenyldiazenylanthracene-9,10-dione
CID 88640255
lithium;anthracene-9,10-dione;hydride
CID 174683199
CID 67824005
CID 67824005
anthracene-9,10-dione;hydrofluoride
CID 172728823
CID 66807709
CID 66807709
anthracene-9,10-dione;hydrate;hydrochloride
CID 177309925
anthracene-9,10-dione;platinum(2+);dichloride
CID 174702138

Frequently Asked Questions

What is the IUPAC name of 10-[[(4-chlorophenyl)diazenyl]methylidene]anthracen-9-one?
The IUPAC name of 10-[[(4-chlorophenyl)diazenyl]methylidene]anthracen-9-one (CID 23547399) is 10-[[(4-chlorophenyl)diazenyl]methylidene]anthracen-9-one.
What is the SMILES notation for 10-[[(4-chlorophenyl)diazenyl]methylidene]anthracen-9-one?
The canonical SMILES for 10-[[(4-chlorophenyl)diazenyl]methylidene]anthracen-9-one is O=C1c2ccccc2C(=C/N=N/c2ccc(Cl)cc2)c2ccccc21.
What is the InChIKey of 10-[[(4-chlorophenyl)diazenyl]methylidene]anthracen-9-one?
The InChIKey is SONFXKCGOKJMOV-WCWDXBQESA-N. The full InChI is InChI=1S/C21H13ClN2O/c22-14-9-11-15(12-10-14)24-23-13-20-16-5-1-3-7-18(16)21(25)19-8-4-2-6-17(19)20/h1-13H/b24-23+.
What are the key properties of 10-[[(4-chlorophenyl)diazenyl]methylidene]anthracen-9-one?
10-[[(4-chlorophenyl)diazenyl]methylidene]anthracen-9-one has a molecular weight of 344.80 g/mol, XLogP of 6.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[[(4-chlorophenyl)diazenyl]methylidene]anthracen-9-one is sourced from PubChem (CID 23547399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).